data_Co3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   5.14
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ir
_chemical_formula_sum   'Co6 Ir2'
_cell_volume   95.21
_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  0.0  0.0  0.02  1.0
  Co  Co1  1  0.07  0.28  0.76  1.0
  Co  Co2  1  0.0  0.29  0.72  1.0
  Co  Co3  1  0.07  0.57  0.46  1.0
  Co  Co4  1  0.07  0.86  0.76  1.0
  Co  Co5  1  0.0  0.85  0.72  1.0
  Ir  Ir6  1  0.07  0.0  0.5  1.0
  Ir  Ir7  1  0.0  0.57  0.98  1.0

data_Co3Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.48
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ir
_chemical_formula_sum   'Co6 Ir2'
_cell_volume   95.21
_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  -0.0  0.28  0.71  1.0
  Co  Co1  1  -0.0  0.28  0.15  1.0
  Co  Co2  1  0.0  0.98  0.0  1.0
  Co  Co3  1  0.93  0.24  0.14  1.0
  Co  Co4  1  0.93  0.24  0.72  1.0
  Co  Co5  1  0.93  0.54  0.43  1.0
  Ir  Ir6  1  -0.0  0.02  0.43  1.0
  Ir  Ir7  1  0.93  0.5  0.0  1.0

Co Co Co Co Co Co Ir Ir