data_[Os12Se4O20]
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 [Cmc2_1]
_cell_length_a [11.2072]
_cell_length_b [7.5133]
_cell_length_c [4.9693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Os3SeO5]
_chemical_formula_sum '[Os12 Se4 O20]'
_cell_volume [418.4261]
_cell_formula_units_Z [4]
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  8  0.2250  0.4301  0.6450  1
  Os  Os1  4  0.0000  0.1409  0.7296  1
  Se  Se2  4  0.0000  0.4508  0.8425  1
  O  O3  8  0.1046  0.0526  0.0566  1
  O  O4  8  0.2231  0.3197  0.2632  1
  O  O5  4  0.0000  0.2324  0.4013  1
]