data_[Cs2Ta2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [7.1127]
_cell_length_b [7.2479]
_cell_length_c [9.4612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTaPbS4]
_chemical_formula_sum '[Cs2 Ta2 Pb2 S8]'
_cell_volume [466.4521]
_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
[
  Cs  Cs0  2  0.2674  0.2500  0.0613  1.0
  Ta  Ta1  2  0.2254  0.7500  0.3333  1.0
  Pb  Pb2  2  0.2346  0.2500  0.5458  1.0
  S  S3  4  0.0178  0.5008  0.2964  1.0
  S  S4  2  0.4146  0.7500  0.1756  1.0
  S  S5  2  0.4274  0.7500  0.5692  1.0
]