data_[Ca2Pr2Cr4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7056]
_cell_length_b [5.5336]
_cell_length_c [5.4259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaPrCr2O6]
_chemical_formula_sum '[Ca2 Pr2 Cr4 O12]'
_cell_volume [231.3597]
_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
[
  Ca  Ca0  2  0.0000  0.2029  0.4898  1.0
  Pr  Pr1  2  0.0000  0.7048  0.0101  1.0
  Cr  Cr2  4  0.2494  0.2481  0.0004  1.0
  O  O3  4  0.2069  0.4584  0.2921  1.0
  O  O4  4  0.2088  0.9601  0.2099  1.0
  O  O5  2  0.0000  0.2700  0.9178  1.0
  O  O6  2  0.0000  0.7730  0.5776  1.0
]