data_[Cu4Sb4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  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 [3.8748]
_cell_length_b [17.2605]
_cell_length_c [12.9689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CuSbPb2S5]
_chemical_formula_sum '[Cu4 Sb4 Pb8 S20]'
_cell_volume [867.3806]
_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
[
  Cu  Cu0  4  0.0000  0.4395  0.4303  1.0
  Sb  Sb1  4  0.0000  0.2172  0.0350  1.0
  Pb  Pb2  4  0.0000  0.0669  0.6620  1.0
  Pb  Pb3  4  0.0000  0.1379  0.3261  1.0
  S  S4  4  0.0000  0.0603  0.0242  1.0
  S  S5  4  0.0000  0.2676  0.6716  1.0
  S  S6  4  0.0000  0.3043  0.3987  1.0
  S  S7  4  0.0000  0.3611  0.9937  1.0
  S  S8  4  0.0000  0.4915  0.7825  1.0
]