data_Co2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   105.99
_cell_angle_beta   105.99
_cell_angle_gamma   116.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Ir
_chemical_formula_sum   'Co4 Ir2'
_cell_volume   81.79
_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
  Co  Co0  1  0.06  0.8  0.0  1.0
  Co  Co1  1  0.06  0.2  0.5  1.0
  Co  Co2  1  0.8  0.66  0.0  1.0
  Co  Co3  1  0.8  0.06  0.5  1.0
  Ir  Ir4  1  0.0  0.0  0.25  1.0
  Ir  Ir5  1  0.0  0.0  0.74  1.0

data_Co2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   105.99
_cell_angle_beta   105.99
_cell_angle_gamma   116.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Ir
_chemical_formula_sum   'Co4 Ir2'
_cell_volume   81.79
_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
  Co  Co0  1  0.2  0.34  0.0  1.0
  Co  Co1  1  0.44  0.3  0.5  1.0
  Co  Co2  1  0.69  0.44  0.5  1.0
  Co  Co3  1  0.94  0.2  0.0  1.0
  Ir  Ir4  1  0.25  0.25  0.25  1.0
  Ir  Ir5  1  0.74  0.74  0.74  1.0

Co Co Co Co Ir Ir