data_[Ce8B4Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8689]
_cell_length_b [7.8276]
_cell_length_c [17.4553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce4B2Cl5]
_chemical_formula_sum '[Ce8 B4 Cl10]'
_cell_volume [528.6147]
_cell_formula_units_Z [2]
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  4  0.0000  0.2116  0.5000  1.0
  Ce  Ce1  4  0.0000  0.5000  0.1821  1.0
  B  B2  4  0.0000  0.5000  0.0462  1.0
  Cl  Cl3  8  0.0000  0.2712  0.3327  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]