data_[Ba2Os2Se4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2/m]
_cell_length_a [9.3189]
_cell_length_b [5.4234]
_cell_length_c [8.1722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaOs(SeO4)2]
_chemical_formula_sum '[Ba2 Os2 Se4 O16]'
_cell_volume [407.9509]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Os  Os1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.1159  0.5000  0.2076  1.0
  O  O3  8  0.0081  0.2473  0.8063  1.0
  O  O4  4  0.1719  0.5000  0.4145  1.0
  O  O5  4  0.1904  0.0000  0.0472  1.0
]