data_InFe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   4.88
_cell_angle_alpha   103.08
_cell_angle_beta   103.08
_cell_angle_gamma   33.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Br
_chemical_formula_sum   'In1 Fe2 Br1'
_cell_volume   75.75
_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  0.45  0.0  0.15  1.0
  Fe  Fe1  1  0.26  0.0  0.74  1.0
  Fe  Fe2  1  0.07  0.0  0.02  1.0
  Br  Br0  1  0.72  0.0  0.95  1.0

data_InFe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.88
_cell_length_c   5.36
_cell_angle_alpha   103.08
_cell_angle_beta   106.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InFe2Br
_chemical_formula_sum   'In1 Fe2 Br1'
_cell_volume   75.75
_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  0.15  0.45  1.0
  Fe  Fe1  1  0.0  0.02  0.07  1.0
  Fe  Fe2  1  0.0  0.74  0.26  1.0
  Br  Br3  1  0.0  0.95  0.72  1.0

In Fe Fe Br