data_[Ni12Os6]
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 [R32]
_cell_length_a [4.4909]
_cell_length_b [4.4909]
_cell_length_c [12.4991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Ni2Os]
_chemical_formula_sum '[Ni12 Os6]'
_cell_volume [218.3127]
_cell_formula_units_Z [6]
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  9  0.0000  0.3338  0.5000  1
  Ni  Ni1  3  0.0000  0.0000  0.0000  1
  Os  Os2  6  0.0000  0.0000  0.3327  1
]