data_[Ce4Se2Br4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.3425]
_cell_length_b [9.4485]
_cell_length_c [7.9092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Ce2SeBr2Cl]
_chemical_formula_sum '[Ce4 Se2 Br4 Cl2]'
_cell_volume [324.5174]
_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  0.0000  0.1426  0.2712  1
  Ce  Ce1  2  0.5000  0.4079  0.7589  1
  Se  Se2  2  0.0000  0.4227  0.4730  1
  Br  Br3  2  0.0000  0.1796  0.8630  1
  Br  Br4  2  0.5000  0.0831  0.5393  1
  Cl  Cl5  2  0.5000  0.3062  0.1401  1
]