data_[Ce2Er2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.5985]
_cell_length_b [3.8982]
_cell_length_c [19.0524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeErBr4]
_chemical_formula_sum '[Ce2 Er2 Br8]'
_cell_volume [1009.9678]
_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  0.1224  0.7500  0.4998  1
  Er  Er1  2  0.3526  0.2500  0.5011  1
  Br  Br2  2  0.0422  0.2500  0.6063  1
  Br  Br3  2  0.2132  0.2500  0.3940  1
  Br  Br4  2  0.3002  0.7500  0.6029  1
  Br  Br5  2  0.4589  0.7500  0.4199  1
]