data_[Li4Ce4Br4Cl16]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0491]
_cell_length_b [8.6619]
_cell_length_c [8.5243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCeBrCl4]
_chemical_formula_sum '[Li4 Ce4 Br4 Cl16]'
_cell_volume [858.3999]
_cell_formula_units_Z [4]
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  4  0.1389  0.5000  0.3145  1
  Ce  Ce1  4  0.2136  0.0000  0.1124  1
  Br  Br2  4  0.0305  0.0000  0.8205  1
  Cl  Cl3  8  0.1960  0.3090  0.1436  1
  Cl  Cl4  4  0.0639  0.5000  0.7743  1
  Cl  Cl5  4  0.2308  0.0000  0.4274  1
]