data_CrFeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.53
_cell_angle_alpha   100.19
_cell_angle_beta   100.19
_cell_angle_gamma   33.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeIr2
_chemical_formula_sum   'Cr1 Fe1 Ir2'
_cell_volume   51.56
_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  0.92  0.0  0.2  1.0
  Fe  Fe1  1  0.34  0.0  0.12  1.0
  Ir  Ir2  1  0.01  0.0  0.08  1.0
  Ir  Ir3  1  0.54  0.0  0.28  1.0

data_CrFeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.53
_cell_length_c   4.55
_cell_angle_alpha   100.19
_cell_angle_beta   106.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeIr2
_chemical_formula_sum   'Cr1 Fe1 Ir2'
_cell_volume   51.56
_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  0.2  0.92  1.0
  Fe  Fe1  1  0.0  0.12  0.34  1.0
  Ir  Ir2  1  0.0  0.08  0.01  1.0
  Ir  Ir3  1  0.0  0.28  0.54  1.0

Cr Fe Ir Ir