data_[Na4Sn5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.4447]
_cell_length_b [8.4447]
_cell_length_c [18.0162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Na4Sn5]
_chemical_formula_sum '[Na4 Sn5]'
_cell_volume [1112.6503]
_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  0.0000  0.6739  0.5704  1
  Na  Na1  1  0.0000  0.0000  0.4030  1
  Sn  Sn2  3  0.0000  0.3290  0.4852  1
  Sn  Sn3  2  0.3333  0.6667  0.4651  1
]