data_[Pr4Sc2Cr2O12]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5847]
_cell_length_b [5.7495]
_cell_length_c [9.7241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2ScCrO6]
_chemical_formula_sum '[Pr4 Sc2 Cr2 O12]'
_cell_volume [256.3489]
_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  0.2638  0.5516  0.7503  1.0
  Sc  Sc1  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1608  0.5296  0.2550  1.0
  O  O4  4  0.2601  0.2022  0.0499  1.0
  O  O5  4  0.3504  0.7103  0.0505  1.0
]