data_[Na8Ca2Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [10.0507]
_cell_length_b [10.0507]
_cell_length_c [7.1650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Na4CaSn6]
_chemical_formula_sum '[Na8 Ca2 Sn12]'
_cell_volume [626.8132]
_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  6  0.0824  0.5412  0.2500  1
  Na  Na1  2  0.3333  0.6667  0.7500  1
  Ca  Ca2  2  0.0000  0.0000  0.2500  1
  Sn  Sn3  12  0.1694  0.3388  0.5386  1
]