data_[Co6Ni2Ir8]
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 [C2/m]
_cell_length_a [21.1127]
_cell_length_b [2.6290]
_cell_length_c [4.0822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co3NiIr4]
_chemical_formula_sum '[Co6 Ni2 Ir8]'
_cell_volume [223.8042]
_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  0.2128  0.0000  0.6645  1
  Co  Co1  2  0.0000  0.0000  0.5000  1
  Ni  Ni2  2  0.0000  0.5000  0.0000  1
  Ir  Ir3  4  0.0992  0.5000  0.5756  1
  Ir  Ir4  4  0.1694  0.5000  0.1332  1
]