data_[Na2Sm2Sn2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.0590]
_cell_length_b [7.0590]
_cell_length_c [12.4263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [NaSmSnCl6]
_chemical_formula_sum '[Na2 Sm2 Sn2 Cl12]'
_cell_volume [536.2444]
_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
[
  Na  Na0  2  0.3333  0.6667  0.7500  1.0
  Sm  Sm1  2  0.3333  0.6667  0.2500  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  12  0.0125  0.3476  0.1279  1.0
]