data_[Pr4Zr2Sc2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7225]
_cell_length_b [5.9562]
_cell_length_c [9.8578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2ZrScO6]
_chemical_formula_sum '[Pr4 Zr2 Sc2 O12]'
_cell_volume [276.8444]
_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  0.2351  0.0638  0.2470  1.0
  Zr  Zr1  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1394  0.1927  0.9444  1.0
  O  O4  4  0.2569  0.6979  0.9458  1.0
  O  O5  4  0.3604  0.0394  0.7503  1.0
]