data_[In4Bi4Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.0800]
_cell_length_b [9.0800]
_cell_length_c [3.6362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [In2Bi2Cl]
_chemical_formula_sum '[In4 Bi4 Cl2]'
_cell_volume [299.7896]
_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  0.1494  0.6494  0.5000  1
  Bi  Bi1  4  0.1484  0.3516  0.0000  1
  Cl  Cl2  2  0.0000  0.0000  0.0000  1
]