data_[Os3W3Se6]
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 [R3m]
_cell_length_a [3.0456]
_cell_length_b [3.0456]
_cell_length_c [29.3257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [OsWSe2]
_chemical_formula_sum '[Os3 W3 Se6]'
_cell_volume [235.5681]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2463  1
  W  W1  3  0.0000  0.0000  0.5041  1
  Se  Se2  3  0.0000  0.0000  0.7754  1
  Se  Se3  3  0.0000  0.0000  0.9741  1
]