data_[Fe4Co4Ir16]
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 [Cmc2_1]
_cell_length_a [2.7162]
_cell_length_b [13.7751]
_cell_length_c [8.7195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [FeCoIr4]
_chemical_formula_sum '[Fe4 Co4 Ir16]'
_cell_volume [326.2453]
_cell_formula_units_Z [4]
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  0.0000  0.3309  0.2710  1.0
  Co  Co1  4  0.0000  0.2211  0.0186  1.0
  Ir  Ir2  4  0.0000  0.0045  0.7678  1.0
  Ir  Ir3  4  0.0000  0.1184  0.5200  1.0
  Ir  Ir4  4  0.0000  0.3276  0.7668  1.0
  Ir  Ir5  4  0.0000  0.4417  0.5169  1.0
]