data_Cr2InFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.21
_cell_length_c   8.21
_cell_angle_alpha   19.94
_cell_angle_beta   19.94
_cell_angle_gamma   19.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InFe
_chemical_formula_sum   'Cr2 In1 Fe1'
_cell_volume   56.21
_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  0.0  0.34  1.0
  Cr  Cr1  1  0.0  0.0  0.06  1.0
  In  In3  1  0.0  0.0  0.98  1.0
  Fe  Fe2  1  0.0  0.0  0.8  1.0

data_Cr2InFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   2.84
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   101.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2InFe
_chemical_formula_sum   'Cr4 In2 Fe2'
_cell_volume   112.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.66  1.0
  Cr  Cr1  2  0.0  0.0  0.94  1.0
  In  In2  2  0.0  0.0  0.02  1.0
  Fe  Fe3  2  0.0  0.0  0.2  1.0

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