data_[Ni8Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2045]
_cell_length_b [4.2353]
_cell_length_c [5.2256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NiOs]
_chemical_formula_sum '[Ni8 Os8]'
_cell_volume [203.7143]
_cell_formula_units_Z [8]
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  0.0809  0.7500  0.4945  1.0
  Ni  Ni1  4  0.1667  0.2500  0.2572  1.0
  Os  Os2  4  0.0904  0.7500  0.9976  1.0
  Os  Os3  4  0.1685  0.2500  0.7484  1.0
]