data_[Cu4Si8Pb4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4879]
_cell_length_b [12.4428]
_cell_length_c [6.2906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuSi2PbS6]
_chemical_formula_sum '[Cu4 Si8 Pb4 S24]'
_cell_volume [928.9729]
_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
[
  Si  Si0  8  0.2013  0.4313  0.2169  1
  Cu  Cu1  4  0.0000  0.3052  0.7500  1
  Pb  Pb2  4  0.0000  0.1248  0.2500  1
  S  S3  8  0.1219  0.0724  0.7051  1
  S  S4  8  0.1357  0.2809  0.0606  1
  S  S5  8  0.1359  0.4325  0.5001  1
]