data_[Ni4Os2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [4.9118]
_cell_length_b [6.3344]
_cell_length_c [10.6307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Ni2OsSe6]
_chemical_formula_sum '[Ni4 Os2 Se12]'
_cell_volume [330.7581]
_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  0.0000  0.5000  0.3226  1.0
  Os  Os1  2  0.0000  0.0000  0.5000  1.0
  Se  Se2  8  0.2240  0.6896  0.1571  1.0
  Se  Se3  4  0.2387  0.1681  0.0000  1.0
]