data_[Na2Ce1Pb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8312]
_cell_length_b [8.9581]
_cell_length_c [7.1389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2CePbBr8]
_chemical_formula_sum '[Na2 Ce1 Pb1 Br8]'
_cell_volume [436.0335]
_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
[
  Na  Na0  2  0.5000  0.2589  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.2222  0.2285  0.8432  1.0
  Br  Br4  2  0.2603  0.0000  0.3191  1.0
  Br  Br5  2  0.2705  0.5000  0.3368  1.0
]