data_[Ce2Pr2As2Br2]
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
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.2577]
_cell_length_b [4.2577]
_cell_length_c [15.0046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [CePrAsBr]
_chemical_formula_sum '[Ce2 Pr2 As2 Br2]'
_cell_volume [235.5653]
_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  0.6667  0.3333  0.3545  1
  Pr  Pr1  2  0.3333  0.6667  0.1435  1
  As  As2  2  0.0000  0.0000  0.2472  1
  Br  Br3  1  0.3333  0.6667  0.5000  1
  Br  Br4  1  0.6667  0.3333  0.0000  1
]