data_[Ni2Os1Se4]
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 [P-1]
_cell_length_a [3.9381]
_cell_length_b [5.9371]
_cell_length_c [6.0955]
_cell_angle_alpha [63.0723]
_cell_angle_beta [87.3326]
_cell_angle_gamma [76.1343]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni2OsSe4]
_chemical_formula_sum '[Ni2 Os1 Se4]'
_cell_volume [123.0482]
_cell_formula_units_Z [1]
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  2  0.3614  0.4583  0.3117  1.0
  Os  Os1  1  0.0000  0.0000  0.0000  1.0
  Se  Se2  2  0.0792  0.7581  0.4625  1.0
  Se  Se3  2  0.4091  0.2486  0.0419  1.0
]