data_[Fe2Ir4Os2]
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 [8.9394]
_cell_length_b [2.7136]
_cell_length_c [4.6516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeIr2Os]
_chemical_formula_sum '[Fe2 Ir4 Os2]'
_cell_volume [111.0062]
_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  0.0000  0.5000  0.0000  1.0
  Ir  Ir1  4  0.2495  0.0000  0.2479  1.0
  Os  Os2  2  0.0000  0.0000  0.5000  1.0
]