data_[Ce2In6Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5085]
_cell_length_b [8.3825]
_cell_length_c [12.9221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce(InCl2)3]
_chemical_formula_sum '[Ce2 In6 Cl12]'
_cell_volume [689.2171]
_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  2  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.2956  0.5676  0.2736  1.0
  In  In2  2  0.5000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.0944  0.5716  0.7338  1.0
  Cl  Cl4  4  0.2518  0.2306  0.5861  1.0
  Cl  Cl5  4  0.3520  0.6622  0.5367  1.0
]