data_Co2AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.17
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsIr
_chemical_formula_sum   'Co2 As1 Ir1'
_cell_volume   52.88
_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  Co1  1  0.49  0.0  0.13  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.49  0.08  0.0  1.0
  Ir  Ir3  1  0.0  0.08  0.13  1.0

data_Co2AsIr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.17
_cell_length_b   2.98
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Co2AsIr
_chemical_formula_sum   'Co2 As1 Ir1'
_cell_volume   52.88
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Co  Co1  1  0.0  0.5  0.13  1.0
  As  As2  1  0.08  0.5  -0.0  1.0
  Ir  Ir3  1  0.08  0.0  0.13  1.0

Co Co As Ir
Co Co As Ir 0 2 o o o 1 3 o o o 