data_[Pr4Se4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
  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 [10.5316]
_cell_length_b [7.4049]
_cell_length_c [6.9474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSeBrO4]
_chemical_formula_sum '[Pr4 Se4 Br4 O16]'
_cell_volume [525.6312]
_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  0.2315  0.0000  0.1375  1.0
  Se  Se1  4  0.1355  0.5000  0.2632  1.0
  Br  Br2  4  0.0221  0.0000  0.7565  1.0
  O  O3  8  0.1860  0.3262  0.1400  1.0
  O  O4  4  0.0242  0.5000  0.7662  1.0
  O  O5  4  0.2137  0.5000  0.4995  1.0
]