data_[In1Bi1B1Pb2]
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
  B  2.0400  0.8500  0.4100
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1327]
_cell_length_b [5.1327]
_cell_length_c [4.9808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [InBiBPb2]
_chemical_formula_sum '[In1 Bi1 B1 Pb2]'
_cell_volume [131.2165]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Bi  Bi1  1  0.5000  0.5000  0.5000  1
  B  B2  1  0.0000  0.0000  0.0000  1
  Pb  Pb3  2  0.0000  0.5000  0.0000  1
]