data_Cr2FeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.43
_cell_angle_alpha   99.91
_cell_angle_beta   99.91
_cell_angle_gamma   33.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeIr
_chemical_formula_sum   'Cr2 Fe1 Ir1'
_cell_volume   48.53
_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  0.55  0.0  0.34  1.0
  Cr  Cr1  1  0.19  0.0  0.02  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.87  0.0  0.18  1.0

data_Cr2FeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.43
_cell_length_c   4.46
_cell_angle_alpha   99.91
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2FeIr
_chemical_formula_sum   'Cr2 Fe1 Ir1'
_cell_volume   48.53
_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  0.02  0.19  1.0
  Cr  Cr1  1  0.0  0.34  0.55  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.18  0.87  1.0

Cr Cr Fe Ir