data_In3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3Bi
_chemical_formula_sum   'In3 Bi1'
_cell_volume   114.71
_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  In1  1  0.72  0.43  0.71  1.0
  In  In2  1  0.72  0.57  0.71  1.0
  In  In3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.44  0.0  0.0  1.0

data_In3Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   109.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3Bi
_chemical_formula_sum   'In3 Bi1'
_cell_volume   114.71
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.71  0.72  0.43  1.0
  In  In2  1  0.71  0.72  0.57  1.0
  Bi  Bi3  1  0.0  0.44  0.0  1.0

In In In Bi