data_[Ce4Sm2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7087]
_cell_length_b [4.9022]
_cell_length_c [8.6416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2SmCl8]
_chemical_formula_sum '[Ce4 Sm2 Cl16]'
_cell_volume [655.1952]
_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  0.2392  0.5000  0.7349  1
  Sm  Sm1  2  0.0000  0.5000  0.0000  1
  Cl  Cl2  4  0.0598  0.5000  0.7224  1
  Cl  Cl3  4  0.0728  0.0000  0.1508  1
  Cl  Cl4  4  0.1854  0.0000  0.5524  1
  Cl  Cl5  4  0.1976  0.5000  0.0768  1
]