data_[Co8Ni14Ir2]
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 [8.8760]
_cell_length_b [4.3975]
_cell_length_c [8.6697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co4Ni7Ir]
_chemical_formula_sum '[Co8 Ni14 Ir2]'
_cell_volume [296.7432]
_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  0.0965  0.5000  0.3100  1
  Co  Co1  4  0.1739  0.0000  0.7724  1
  Ni  Ni2  4  0.1115  0.0000  0.4572  1
  Ni  Ni3  4  0.1556  0.5000  0.6166  1
  Ni  Ni4  4  0.2006  0.5000  0.9101  1
  Ni  Ni5  2  0.0000  0.5000  0.0000  1
  Ir  Ir6  2  0.0000  0.0000  0.0000  1
]