data_[Sm4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.2395]
_cell_length_b [12.5373]
_cell_length_c [7.0251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmCl3]
_chemical_formula_sum '[Sm4 Cl12]'
_cell_volume [600.8277]
_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
[
  Sm  Sm0  4  0.0000  0.1662  0.0000  1.0
  Cl  Cl1  8  0.2332  0.1921  0.7694  1.0
  Cl  Cl2  4  0.1883  0.0000  0.2344  1.0
]