data_[Rb8Pb8S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1544]
_cell_length_b [10.0221]
_cell_length_c [7.5573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb2Pb2S3]
_chemical_formula_sum '[Rb8 Pb8 S12]'
_cell_volume [1069.3236]
_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  0.1337  0.1610  0.5065  1
  Pb  Pb1  8  0.1249  0.4152  0.9706  1
  S  S2  8  0.2366  0.4236  0.7363  1
  S  S3  4  0.0000  0.3988  0.2500  1
]