data_InFeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   136.51
_cell_angle_beta   136.51
_cell_angle_gamma   63.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeBi2
_chemical_formula_sum   'In1 Fe1 Bi2'
_cell_volume   102.94
_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  In3  1  0.24  0.0  0.57  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.14  1.0
  Bi  Bi1  1  0.0  0.24  0.57  1.0

data_InFeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.04
_cell_angle_alpha   111.74
_cell_angle_beta   111.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeBi2
_chemical_formula_sum   'In1 Fe1 Bi2'
_cell_volume   102.94
_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  0.43  0.0  0.67  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.67  0.24  0.67  1.0
  Bi  Bi3  1  0.86  0.0  0.86  1.0

In Fe Bi Bi
In Fe Bi Bi 0 3 o o o 1 2 o o o 