data_[In4Bi6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8850]
_cell_length_b [14.2897]
_cell_length_c [7.2403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In2(BiPb)3]
_chemical_formula_sum '[In4 Bi6 Pb6]'
_cell_volume [505.3870]
_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
[
  In  In0  4  0.4881  0.6307  0.9993  1
  Bi  Bi1  4  0.0850  0.0031  0.7679  1
  Bi  Bi2  2  0.0962  0.2500  0.2527  1
  Pb  Pb3  4  0.4817  0.6234  0.4951  1
  Pb  Pb4  2  0.0294  0.7500  0.2412  1
]