data_[Rb4Ta2Pb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ta  1.5000  1.4500  0.8200
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0425]
_cell_length_b [11.9201]
_cell_length_c [8.1571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Ta(PbS3)2]
_chemical_formula_sum '[Rb4 Ta2 Pb4 S12]'
_cell_volume [651.1721]
_cell_formula_units_Z [2]
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  0.0000  0.1763  0.0000  1.0
  Ta  Ta1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  4  0.0000  0.3321  0.5000  1.0
  S  S3  8  0.2133  0.1454  0.6878  1.0
  S  S4  4  0.2197  0.0000  0.3153  1.0
]