data_[Os1Se2O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.2013]
_cell_length_b [3.0227]
_cell_length_c [17.8128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Os(SeO)2]
_chemical_formula_sum '[Os1 Se2 O2]'
_cell_volume [333.8961]
_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  0.4390  0.0000  0.5017  1
  Se  Se1  1  0.0668  0.0000  0.4273  1
  Se  Se2  1  0.1354  0.5000  0.5490  1
  O  O3  1  0.5261  0.5000  0.4368  1
  O  O4  1  0.5839  0.0000  0.5852  1
]