data_[Ca4Pr4Cr4O16]
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 [Cmc2_1]
_cell_length_a [5.4502]
_cell_length_b [12.0105]
_cell_length_c [5.6107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CaPrCrO4]
_chemical_formula_sum '[Ca4 Pr4 Cr4 O16]'
_cell_volume [367.2729]
_cell_formula_units_Z [4]
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  4  0.0000  0.1036  0.0186  1.0
  Pr  Pr1  4  0.0000  0.3880  0.9833  1.0
  Cr  Cr2  4  0.0000  0.2490  0.4988  1.0
  O  O3  8  0.2472  0.2315  0.7516  1.0
  O  O4  4  0.0000  0.0816  0.4423  1.0
  O  O5  4  0.0000  0.4214  0.5538  1.0
]