data_[Na4Sm4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7354]
_cell_length_b [5.3742]
_cell_length_c [9.4076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSmCl4]
_chemical_formula_sum '[Na4 Sm4 Cl16]'
_cell_volume [849.8695]
_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
[
  Na  Na0  4  0.0965  0.0000  0.7003  1.0
  Sm  Sm1  4  0.1932  0.0000  0.2887  1.0
  Cl  Cl2  4  0.0693  0.0000  0.3890  1.0
  Cl  Cl3  4  0.1187  0.0000  0.0090  1.0
  Cl  Cl4  4  0.1587  0.5000  0.7218  1.0
  Cl  Cl5  4  0.2204  0.5000  0.3680  1.0
]