data_[Pr4Cr4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cr  1.6600  1.4000  0.9400
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5115]
_cell_length_b [7.4316]
_cell_length_c [6.9263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrCrBrO4]
_chemical_formula_sum '[Pr4 Cr4 Br4 O16]'
_cell_volume [524.3343]
_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
[
  Pr  Pr0  4  0.2338  0.0000  0.1276  1.0
  Cr  Cr1  4  0.1380  0.5000  0.2639  1.0
  Br  Br2  4  0.0195  0.0000  0.7537  1.0
  O  O3  8  0.1853  0.3224  0.1443  1.0
  O  O4  4  0.0222  0.5000  0.7671  1.0
  O  O5  4  0.2098  0.5000  0.5034  1.0
]