data_[Pr4Re4O20]
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 [C2/c]
_cell_length_a [9.2373]
_cell_length_b [6.5979]
_cell_length_c [7.6764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrReO5]
_chemical_formula_sum '[Pr4 Re4 O20]'
_cell_volume [425.7397]
_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
[
  Pr  Pr0  4  0.0000  0.4461  0.2500  1.0
  Re  Re1  4  0.0000  0.0000  0.0000  1.0
  O  O2  8  0.0096  0.2826  0.9651  1.0
  O  O3  8  0.2179  0.0141  0.6109  1.0
  O  O4  4  0.0000  0.0637  0.2500  1.0
]