data_[Co8Ni10Ir2]
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 [Pmmn]
_cell_length_a [7.4829]
_cell_length_b [7.9092]
_cell_length_c [4.1455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Co4Ni5Ir]
_chemical_formula_sum '[Co8 Ni10 Ir2]'
_cell_volume [245.3466]
_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  0.2218  0.7550  1
  Co  Co1  4  0.1784  0.5000  0.8762  1
  Ni  Ni2  8  0.1727  0.2696  0.2529  1
  Ni  Ni3  2  0.0000  0.5000  0.4134  1
  Ir  Ir4  2  0.0000  0.0000  0.2907  1
]