data_[Rb8Ge4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7850]
_cell_length_b [7.0176]
_cell_length_c [9.9137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2GeS3]
_chemical_formula_sum '[Rb8 Ge4 S12]'
_cell_volume [779.0239]
_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  4  0.0835  0.0000  0.3675  1.0
  Rb  Rb1  4  0.1886  0.5000  0.8150  1.0
  Ge  Ge2  4  0.1191  0.5000  0.1822  1.0
  S  S3  4  0.0000  0.2581  0.0000  1.0
  S  S4  4  0.1143  0.5000  0.3980  1.0
  S  S5  4  0.2069  0.0000  0.7766  1.0
]