data_[Tb4Sm4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [15.8504]
_cell_length_b [3.9056]
_cell_length_c [10.5668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbSmCl3]
_chemical_formula_sum '[Tb4 Sm4 Cl12]'
_cell_volume [569.4766]
_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
[
  Tb  Tb0  4  0.0863  0.5000  0.9520  1
  Sm  Sm1  4  0.1398  0.0000  0.2913  1
  Cl  Cl2  4  0.0459  0.0000  0.7454  1
  Cl  Cl3  4  0.1586  0.5000  0.5068  1
  Cl  Cl4  4  0.2246  0.0000  0.1157  1
]