data_[Os1Se2F1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2764]
_cell_length_b [18.1173]
_cell_length_c [5.6570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [OsSe2F]
_chemical_formula_sum '[Os1 Se2 F1]'
_cell_volume [335.7499]
_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
[
  Os  Os0  1  0.3268  0.5000  0.6749  1
  Se  Se1  2  0.8269  0.4136  0.5335  1
  F  F2  1  0.3768  0.5000  0.0152  1
]