data_[Fe2Co4Ir2]
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 [Cm]
_cell_length_a [8.5483]
_cell_length_b [2.6152]
_cell_length_c [4.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeCo2Ir]
_chemical_formula_sum '[Fe2 Co4 Ir2]'
_cell_volume [97.9093]
_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  2  0.4987  0.0000  0.4910  1.0
  Co  Co1  2  0.0019  0.0000  0.0079  1.0
  Co  Co2  2  0.2471  0.5000  0.2458  1.0
  Ir  Ir3  2  0.2524  0.0000  0.7552  1.0
]