data_Germanosilicate_CIT-14
_chemical_name_systematic
"CIT-14"
_chemical_formula_structural
"[Si52.77Ge3.23O112]"


_cell_length_a                  21.9007(7)
_cell_length_b                  13.7360(4)
_cell_length_c                  10.1138(2)
_cell_angle_alpha               90.0000(0)
_cell_angle_beta                90.0000(0)
_cell_angle_gamma               90.0000(0)

_symmetry_space_group_name_H-M     'C m m m'
_symmetry_Int_Tables_number         65
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'
'1/2+x,1/2+y,+z'
'-x,-y,+z'
'1/2-x,1/2-y,+z'
'-x,+y,-z'
'1/2-x,1/2+y,-z'
'+x,-y,-z'
'1/2+x,1/2-y,-z'
'-x,-y,-z'
'1/2-x,1/2-y,-z'
'+x,+y,-z'
'1/2+x,1/2+y,-z'
'+x,-y,+z'
'1/2+x,1/2-y,+z'
'-x,+y,+z'
'1/2-x,1/2+y,+z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
    O1    O  1           0.1726(6)    0.0970(9)    0            3.98(20)
    O2    O  1           0.7543(9)    0.5          0.1259(14)   3.98(20)
    O3    O  1           0.1403(9)    0.2482(13)   0.1231(13)   3.98(20)
    O4    O  1           0.25         0.25         0            3.98(20)
    O5    O  1           0.1601(4)    0.4081(7)    0.2448(17)   3.98(20)
    O6    O  1           0.0551(3)    0.3329(6)    0.2692(21)   3.98(20)
    O7    O  1           0.1468(9)    0.2451(13)   0.3729(13)   3.98(20)
    O8    O  1           0.1746(6)    0.0948(9)    0.5          3.98(20)
    O9    O  1           0.25         0.25         0.5          3.98(20)
   O10    O  1           0.7595(10)   0.5          0.3771(15)   3.98(20)
   O11    O  1         0            0.6359(22)   0.5          3.98(20)
  O12    O  1         0            0.5          0.6829(28)   3.98(20)
  Si1    Si 1           0.7874(5)    0            0            2.67(15)
   Si2    Si 1   0.1791(6)    0.2132(9)    0            2.67(15)
   Si3    Si 1           0.1254(4)    0.3085(6)    0.2522(14)   2.67(15)
   Si4    Si 1           0.1815(7)    0.2106(10)   0.5          2.67(15)
   Si5    Si 1           0.7839(5)    0            0.5          2.67(15)
   Si6    Si 1           0.7980(4)    0.5          0.2476(15)   2.67(15)
   Si7    Si 1   0            0.6151(5)    0.6568(9)    2.67(15)