data_[Pr4Ti2Cr2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0301]
_cell_length_b [5.5150]
_cell_length_c [5.5660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2TiCrO6]
_chemical_formula_sum '[Pr4 Ti2 Cr2 O12]'
_cell_volume [258.2019]
_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  0.2497  0.0000  0.7713  1.0
  Ti  Ti1  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0621  0.2482  0.8185  1.0
  O  O4  4  0.2218  0.0000  0.3272  1.0
]