data_[Rb12Ge8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5855]
_cell_length_b [12.0841]
_cell_length_c [9.1089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb3(GeTe2)2]
_chemical_formula_sum '[Rb12 Ge8 Te16]'
_cell_volume [1582.9380]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Rb  Rb0  8  0.1434  0.1301  0.6244  1.0
  Rb  Rb1  4  0.0000  0.3893  0.2500  1.0
  Ge  Ge2  8  0.2020  0.3799  0.9187  1.0
  Te  Te3  8  0.1168  0.1882  0.0160  1.0
  Te  Te4  8  0.1790  0.4489  0.6118  1.0
]