data_[Os2W2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [2.9969]
_cell_length_b [2.9969]
_cell_length_c [10.4297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [OsWSe]
_chemical_formula_sum '[Os2 W2 Se2]'
_cell_volume [93.6731]
_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
[
  Os  Os0  2  0.0000  0.0000  0.9935  1
  W  W1  2  0.0000  0.0000  0.3352  1
  Se  Se2  2  0.0000  0.0000  0.6712  1
]