data_[Bi6Ir2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.4730]
_cell_length_b [6.5957]
_cell_length_c [9.0205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.1274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Bi3IrPb]
_chemical_formula_sum '[Bi6 Ir2 Pb2]'
_cell_volume [294.4689]
_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
[
  Bi  Bi0  2  0.4432  0.3267  0.9765  1.0
  Bi  Bi1  2  0.5373  0.1462  0.6698  1.0
  Bi  Bi2  2  0.9128  0.2602  0.4748  1.0
  Ir  Ir3  2  0.8987  0.4354  0.7509  1.0
  Pb  Pb4  2  0.0898  0.2519  0.1319  1.0
]