data_Cr2InFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.45
_cell_angle_alpha   106.18
_cell_angle_beta   106.18
_cell_angle_gamma   35.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InFe
_chemical_formula_sum   'Cr2 In1 Fe1'
_cell_volume   55.99
_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
  Cr  Cr0  1  0.34  0.0  0.51  1.0
  Cr  Cr1  1  0.39  0.0  0.74  1.0
  In  In3  1  0.87  0.0  0.13  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0

data_Cr2InFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.45
_cell_length_c   4.75
_cell_angle_alpha   106.18
_cell_angle_beta   107.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InFe
_chemical_formula_sum   'Cr2 In1 Fe1'
_cell_volume   55.99
_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
  Cr  Cr0  1  0.0  0.51  0.34  1.0
  Cr  Cr1  1  0.0  0.74  0.39  1.0
  In  In2  1  0.0  0.13  0.87  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Cr Cr In Fe
Cr Cr In Fe 0 1 o o o 2 3 + o o 