data_[Li2Ce1Pb1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1996]
_cell_length_b [9.1173]
_cell_length_c [7.5963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2CePbI8]
_chemical_formula_sum '[Li2 Ce1 Pb1 I8]'
_cell_volume [497.0999]
_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
[
  Li  Li0  2  0.5000  0.2668  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
  I  I3  4  0.2337  0.2341  0.8340  1.0
  I  I4  2  0.2757  0.0000  0.3278  1.0
  I  I5  2  0.2786  0.5000  0.3482  1.0
]