data_[Cu2Pb2S2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7571]
_cell_length_b [5.5007]
_cell_length_c [10.1099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuPbSO6]
_chemical_formula_sum '[Cu2 Pb2 S2 O12]'
_cell_volume [258.5132]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  2  0.3272  0.7500  0.3305  1.0
  S  S2  2  0.1231  0.7500  0.6617  1.0
  O  O3  4  0.0683  0.5285  0.7396  1.0
  O  O4  2  0.0623  0.2500  0.4757  1.0
  O  O5  2  0.2330  0.7500  0.0827  1.0
  O  O6  2  0.2529  0.2500  0.0418  1.0
  O  O7  2  0.4325  0.7500  0.6526  1.0
]