data_[Na2Hf4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.7391]
_cell_length_b [8.7391]
_cell_length_c [3.2041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Na(HfSn)2]
_chemical_formula_sum '[Na2 Hf4 Sn4]'
_cell_volume [244.7042]
_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  2  0.0000  0.0000  0.0000  1
  Hf  Hf1  4  0.1252  0.6252  0.5000  1
  Sn  Sn2  4  0.1680  0.3320  0.0000  1
]