data_[In15Ga1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0417]
_cell_length_b [5.0417]
_cell_length_c [22.2788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [In15GaBi4]
_chemical_formula_sum '[In15 Ga1 Bi4]'
_cell_volume [566.2977]
_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  4  0.0000  0.5000  0.0897  1
  In  In1  4  0.0000  0.5000  0.2930  1
  In  In2  2  0.0000  0.5000  0.5000  1
  In  In3  2  0.5000  0.5000  0.1940  1
  In  In4  2  0.5000  0.5000  0.3973  1
  In  In5  1  0.5000  0.5000  0.0000  1
  Ga  Ga6  1  0.0000  0.0000  0.0000  1
  Bi  Bi7  2  0.0000  0.0000  0.1855  1
  Bi  Bi8  2  0.0000  0.0000  0.3939  1
]