data_[Na7In1Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.5489]
_cell_length_b [7.5489]
_cell_length_c [7.6343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Na7InSn3]
_chemical_formula_sum '[Na7 In1 Sn3]'
_cell_volume [376.7599]
_cell_formula_units_Z [1]
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  3  0.1656  0.3313  0.1091  1.0
  Na  Na1  3  0.3278  0.1639  0.5050  1.0
  Na  Na2  1  0.6667  0.3333  0.0103  1.0
  In  In3  1  0.3333  0.6667  0.4374  1.0
  Sn  Sn4  3  0.0689  0.5344  0.7749  1.0
]