data_[Ce2Pr2Br8]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [14.4514]
_cell_length_b [4.0148]
_cell_length_c [19.1587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CePrBr4]
_chemical_formula_sum '[Ce2 Pr2 Br8]'
_cell_volume [1111.5736]
_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
[
  Ce  Ce0  2  0.3620  0.2500  0.0028  1
  Pr  Pr1  2  0.1433  0.7500  0.9993  1
  Br  Br2  2  0.0364  0.2500  0.0871  1
  Br  Br3  2  0.2111  0.2500  0.8931  1
  Br  Br4  2  0.2927  0.7500  0.1085  1
  Br  Br5  2  0.4608  0.7500  0.9107  1
]