data_[Ta4Cu4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7096]
_cell_length_b [17.2687]
_cell_length_c [12.5749]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TaCuPb2S5]
_chemical_formula_sum '[Ta4 Cu4 Pb8 S20]'
_cell_volume [805.5406]
_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
[
  Ta  Ta0  4  0.0000  0.1991  0.0183  1.0
  Cu  Cu1  4  0.0000  0.4194  0.4448  1.0
  Pb  Pb2  4  0.0000  0.1099  0.3135  1.0
  Pb  Pb3  4  0.0000  0.1103  0.6621  1.0
  S  S4  4  0.0000  0.0635  0.0524  1.0
  S  S5  4  0.0000  0.2806  0.6525  1.0
  S  S6  4  0.0000  0.2950  0.3840  1.0
  S  S7  4  0.0000  0.3493  0.0027  1.0
  S  S8  4  0.0000  0.4930  0.2937  1.0
]