data_[Pr2Hg2Os2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.7265]
_cell_length_b [10.4799]
_cell_length_c [5.3669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [PrHgOsO6]
_chemical_formula_sum '[Pr2 Hg2 Os2 O12]'
_cell_volume [309.6048]
_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
[
  Pr  Pr0  2  0.0000  0.3340  0.5000  1.0
  Hg  Hg1  2  0.0000  0.0360  0.0000  1.0
  Os  Os2  2  0.0000  0.6725  0.5000  1.0
  O  O3  4  0.1820  0.5223  0.7101  1.0
  O  O4  4  0.2053  0.7881  0.7209  1.0
  O  O5  4  0.2128  0.6685  0.3005  1.0
]