data_[Fe8Ir6Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1218]
_cell_length_b [3.7604]
_cell_length_c [5.9883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe4Ir3Os2]
_chemical_formula_sum '[Fe8 Ir6 Os4]'
_cell_volume [237.0032]
_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  0.1683  0.5000  0.0057  1
  Fe  Fe1  4  0.2219  0.0000  0.3402  1
  Os  Os2  4  0.0611  0.5000  0.3397  1
  Ir  Ir3  4  0.1162  0.0000  0.6741  1
  Ir  Ir4  2  0.0000  0.0000  0.0000  1
]