data_[In5Bi9]
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 [P31m]
_cell_length_a [8.7165]
_cell_length_b [8.7165]
_cell_length_c [19.1980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [In5Bi9]
_chemical_formula_sum '[In5 Bi9]'
_cell_volume [1263.2009]
_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  3  0.0000  0.7625  0.4449  1
  In  In1  2  0.3333  0.6667  0.4639  1
  Bi  Bi2  6  0.2022  0.7963  0.5993  1
  Bi  Bi3  3  0.0000  0.4244  0.3806  1
]