data_[Co14Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1316]
_cell_length_b [3.6589]
_cell_length_c [5.1371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co7Ir3]
_chemical_formula_sum '[Co14 Ir6]'
_cell_volume [241.4627]
_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  0.0978  0.5000  0.3003  1.0
  Co  Co1  4  0.0988  0.5000  0.8016  1.0
  Co  Co2  4  0.2001  0.0000  0.0957  1.0
  Co  Co3  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir4  4  0.1977  0.0000  0.6051  1.0
  Ir  Ir5  2  0.0000  0.0000  0.0000  1.0
]