data_[Pr1H2Os1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0881]
_cell_length_b [5.2718]
_cell_length_c [5.8279]
_cell_angle_alpha [65.9560]
_cell_angle_beta [66.7339]
_cell_angle_gamma [63.8026]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PrH2OsO6]
_chemical_formula_sum '[Pr1 H2 Os1 O6]'
_cell_volume [123.6013]
_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
[
  Pr  Pr0  1  0.4896  0.4913  0.5299  1.0
  Os  Os1  1  0.0172  0.9796  0.0187  1.0
  H  H2  1  0.4393  0.1785  0.2213  1.0
  H  H3  1  0.6946  0.8656  0.8306  1.0
  O  O4  1  0.0261  0.3370  0.7945  1.0
  O  O5  1  0.2089  0.9440  0.2431  1.0
  O  O6  1  0.3598  0.7679  0.8195  1.0
  O  O7  1  0.6005  0.2187  0.2390  1.0
  O  O8  1  0.7608  0.0342  0.7813  1.0
  O  O9  1  0.8810  0.6712  0.2196  1.0
]