data_[Co4Ni6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.5737]
_cell_length_b [10.6453]
_cell_length_c [3.6778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Co2Ni3Ir]
_chemical_formula_sum '[Co4 Ni6 Ir2]'
_cell_volume [139.9127]
_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  4  0.0000  0.3295  0.0000  1.0
  Ni  Ni1  4  0.0000  0.1701  0.5000  1.0
  Ni  Ni2  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir3  2  0.0000  0.0000  0.0000  1.0
]