data_CrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr
_chemical_formula_sum   'Cr2 Ir2'
_cell_volume   73.94
_cell_formula_units_Z   2
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  0.02  0.17  0.45  1.0
  Cr  Cr1  1  0.0  0.33  0.07  1.0
  Ir  Ir2  1  0.02  0.17  0.73  1.0
  Ir  Ir3  1  0.0  0.33  0.11  1.0

data_CrIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr
_chemical_formula_sum   'Cr2 Ir2'
_cell_volume   73.94
_cell_formula_units_Z   2
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  0.33  0.07  1.0
  Cr  Cr1  1  0.02  0.17  0.45  1.0
  Ir  Ir2  1  -0.0  0.33  0.11  1.0
  Ir  Ir3  1  0.02  0.17  0.73  1.0

Cr Cr Ir Ir