data_Co2ReIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   148.63
_cell_angle_beta   127.73
_cell_angle_gamma   62.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2ReIr
_chemical_formula_sum   'Co2 Re1 Ir1'
_cell_volume   53.36
_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
  Co  Co0  1  0.0  0.24  0.21  1.0
  Co  Co1  1  0.37  0.0  0.13  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.35  1.0

data_Co2ReIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.47
_cell_length_c   5.08
_cell_angle_alpha   116.13
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2ReIr
_chemical_formula_sum   'Co2 Re1 Ir1'
_cell_volume   53.36
_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
  Co  Co0  1  0.24  0.87  0.24  1.0
  Co  Co1  1  0.79  0.02  0.02  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.65  0.65  0.65  1.0

Co Co Re Ir