data_[Na3Sm3Sn3]
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
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.2225]
_cell_length_b [5.2225]
_cell_length_c [10.5517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [NaSmSn]
_chemical_formula_sum '[Na3 Sm3 Sn3]'
_cell_volume [249.2358]
_cell_formula_units_Z [3]
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  0.6667  0.3333  0.1842  1
  Na  Na1  1  0.3333  0.6667  0.5000  1
  Sm  Sm2  2  0.0000  0.0000  0.3339  1
  Sm  Sm3  1  0.0000  0.0000  0.0000  1
  Sn  Sn4  2  0.3333  0.6667  0.8498  1
  Sn  Sn5  1  0.6667  0.3333  0.5000  1
]