data_[Ce1Pr3Br2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7283]
_cell_length_b [3.7283]
_cell_length_c [14.7176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CePr3(BrO)2]
_chemical_formula_sum '[Ce1 Pr3 Br2 O2]'
_cell_volume [177.1683]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  1  0.0000  0.0000  0.0924  1
  Pr  Pr1  1  0.0000  0.0000  0.4096  1
  Pr  Pr2  1  0.6667  0.3333  0.5910  1
  Pr  Pr3  1  0.6667  0.3333  0.9082  1
  Br  Br4  1  0.0000  0.0000  0.7497  1
  Br  Br5  1  0.6667  0.3333  0.2526  1
  O  O6  1  0.3333  0.6667  0.5001  1
  O  O7  1  0.3333  0.6667  0.9964  1
]