data_[Ni4Os8]
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 [C2/m]
_cell_length_a [8.5226]
_cell_length_b [3.7526]
_cell_length_c [5.2765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiOs2]
_chemical_formula_sum '[Ni4 Os8]'
_cell_volume [160.2912]
_cell_formula_units_Z [4]
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  0.1709  0.5000  0.5822  1
  Os  Os1  4  0.0075  0.0000  0.7455  1
  Os  Os2  4  0.1656  0.5000  0.0828  1
]