data_[Fe6Co4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  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 [8.1496]
_cell_length_b [3.7418]
_cell_length_c [7.8666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe3(CoIr2)2]
_chemical_formula_sum '[Fe6 Co4 Ir8]'
_cell_volume [229.5597]
_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
[
  Fe  Fe0  4  0.1660  0.5000  0.5598  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  Co  Co2  4  0.1696  0.5000  0.2243  1
  Ir  Ir3  4  0.0095  0.0000  0.3365  1
  Ir  Ir4  4  0.1655  0.5000  0.8880  1
]