data_[Rb6Ta2Pb4S12]
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 [7.2442]
_cell_length_b [12.5055]
_cell_length_c [7.8656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ta(PbS3)2]
_chemical_formula_sum '[Rb6 Ta2 Pb4 S12]'
_cell_volume [677.7941]
_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  0.1753  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Ta  Ta2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  4  0.0000  0.3344  0.0000  1.0
  S  S4  8  0.2063  0.1431  0.1896  1.0
  S  S5  4  0.2194  0.0000  0.8079  1.0
]