data_[Ba4Ce4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4560]
_cell_length_b [13.5095]
_cell_length_c [6.9003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaCeCl4]
_chemical_formula_sum '[Ba4 Ce4 Cl16]'
_cell_volume [734.8899]
_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
[
  Ba  Ba0  4  0.0000  0.3626  0.2500  1.0
  Ce  Ce1  4  0.0000  0.0044  0.7500  1.0
  Cl  Cl2  8  0.1121  0.1701  0.5726  1.0
  Cl  Cl3  8  0.2069  0.4419  0.7720  1.0
]