data_[Pr12Ru4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.0533]
_cell_length_b [7.3471]
_cell_length_c [7.5461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3RuO7]
_chemical_formula_sum '[Pr12 Ru4 O28]'
_cell_volume [612.8124]
_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  8  0.2191  0.3183  0.2500  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Ru  Ru2  4  0.0000  0.5000  0.0000  1
  O  O3  16  0.1260  0.3155  0.5451  1
  O  O4  8  0.1302  0.0324  0.2500  1
  O  O5  4  0.0000  0.4123  0.2500  1
]