data_[Ce1In2Pb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  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 [7.0648]
_cell_length_b [9.0459]
_cell_length_c [7.4827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeIn2PbBr8]
_chemical_formula_sum '[Ce1 In2 Pb1 Br8]'
_cell_volume [478.0250]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.0000  1.0
  In  In1  2  0.5000  0.2542  0.5000  1.0
  Pb  Pb2  1  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.2253  0.2332  0.8560  1.0
  Br  Br4  2  0.2267  0.0000  0.3103  1.0
  Br  Br5  2  0.2629  0.5000  0.3260  1.0
]