data_[Co10Ir12]
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 [7.4840]
_cell_length_b [9.5862]
_cell_length_c [4.4837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co5Ir6]
_chemical_formula_sum '[Co10 Ir12]'
_cell_volume [294.3601]
_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  0.2304  0.5000  1
  Co  Co1  4  0.0000  0.3702  0.0000  1
  Co  Co2  2  0.0000  0.5000  0.5000  1
  Ir  Ir3  8  0.1907  0.1417  0.1219  1
  Ir  Ir4  4  0.1974  0.0000  0.6223  1
]