data_[Fe1Co4Ir7]
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 [P-1]
_cell_length_a [4.8241]
_cell_length_b [4.9373]
_cell_length_c [7.0534]
_cell_angle_alpha [89.9848]
_cell_angle_beta [75.8292]
_cell_angle_gamma [85.2046]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [FeCo4Ir7]
_chemical_formula_sum '[Fe1 Co4 Ir7]'
_cell_volume [162.2795]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Co  Co1  2  0.1769  0.6472  0.2907  1
  Co  Co2  2  0.3454  0.1689  0.7328  1
  Ir  Ir3  2  0.2051  0.1410  0.4121  1
  Ir  Ir4  2  0.2895  0.6602  0.6293  1
  Ir  Ir5  2  0.4998  0.2521  0.0597  1
  Ir  Ir6  1  0.0000  0.5000  0.0000  1
]