data_[Pr4Re2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5790]
_cell_length_b [6.1993]
_cell_length_c [9.0732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2ReO6]
_chemical_formula_sum '[Pr4 Re2 O12]'
_cell_volume [267.3053]
_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  4  0.2096  0.5899  0.2467  1
  Re  Re1  2  0.5000  0.0000  0.5000  1
  O  O2  4  0.1552  0.6536  0.9491  1
  O  O3  4  0.2929  0.2326  0.9252  1
  O  O4  4  0.4088  0.5568  0.7673  1
]