data_[Pr4Sc4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1711]
_cell_length_b [9.7707]
_cell_length_c [5.6190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sc2O7]
_chemical_formula_sum '[Pr4 Sc4 O14]'
_cell_volume [391.0834]
_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  0.0000  0.3049  0.0000  1
  Sc  Sc1  4  0.2234  0.5000  0.5897  1
  O  O2  8  0.2302  0.1703  0.2156  1
  O  O3  4  0.0502  0.5000  0.2690  1
  O  O4  2  0.0000  0.0000  0.5000  1
]