data_[Os1O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [17.2004]
_cell_length_b [2.7345]
_cell_length_c [17.2004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [OsO3]
_chemical_formula_sum '[Os1 O3]'
_cell_volume [700.6350]
_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  0.5045  0.0000  0.5309  1
  O  O1  1  0.4411  0.0000  0.3983  1
  O  O2  1  0.5198  0.0000  0.6367  1
  O  O3  1  0.5346  0.0000  0.4341  1
]