data_[Ni6Ir8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  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 [8.5228]
_cell_length_b [3.7526]
_cell_length_c [7.9525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni3(Ir2Os)2]
_chemical_formula_sum '[Ni6 Ir8 Os4]'
_cell_volume [240.4961]
_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
[
  Ni  Ni0  4  0.1700  0.5000  0.5563  1
  Ni  Ni1  2  0.0000  0.0000  0.0000  1
  Ir  Ir2  4  0.0051  0.0000  0.3385  1
  Ir  Ir3  4  0.1648  0.5000  0.8890  1
  Os  Os4  4  0.1679  0.5000  0.2266  1
]