data_InFeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   7.45
_cell_angle_alpha   100.35
_cell_angle_beta   100.35
_cell_angle_gamma   49.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeBi2
_chemical_formula_sum   'In1 Fe1 Bi2'
_cell_volume   105.41
_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  0.65  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.53  0.0  0.39  1.0
  Bi  Bi1  1  0.94  0.0  0.92  1.0

data_InFeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.37
_cell_length_c   7.45
_cell_angle_alpha   100.35
_cell_angle_beta   90.0
_cell_angle_gamma   114.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFeBi2
_chemical_formula_sum   'In1 Fe1 Bi2'
_cell_volume   105.41
_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  0.76  0.35  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.06  0.08  1.0
  Bi  Bi3  1  0.0  0.47  0.61  1.0

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