data_[Co4Ni12Ir4]
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 [Cmcm]
_cell_length_a [2.6232]
_cell_length_b [12.0920]
_cell_length_c [7.7629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CoNi3Ir]
_chemical_formula_sum '[Co4 Ni12 Ir4]'
_cell_volume [246.2431]
_cell_formula_units_Z [4]
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  0.0222  0.7500  1
  Ni  Ni1  8  0.0000  0.1703  0.5469  1
  Ni  Ni2  4  0.0000  0.5000  0.0000  1
  Ir  Ir3  4  0.0000  0.3409  0.7500  1
]