data_[In6Bi5]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.1888]
_cell_length_b [15.0000]
_cell_length_c [12.0831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In6Bi5]
_chemical_formula_sum '[In6 Bi5]'
_cell_volume [1580.4050]
_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  0.0816  0.5000  0.0430  1
  In  In1  1  0.3119  0.5000  0.2908  1
  In  In2  1  0.6621  0.5000  0.3273  1
  In  In3  1  0.8077  0.5000  0.1316  1
  In  In4  1  0.9652  0.5000  0.5215  1
  In  In5  1  0.9698  0.5000  0.7809  1
  Bi  Bi6  1  0.2982  0.5000  0.5389  1
  Bi  Bi7  1  0.3330  0.5000  0.7971  1
  Bi  Bi8  1  0.4376  0.5000  0.0817  1
  Bi  Bi9  1  0.6463  0.5000  0.5787  1
  Bi  Bi10  1  0.6771  0.5000  0.8611  1
]