data_[Na8Hf4Sn4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9481]
_cell_length_b [18.1086]
_cell_length_c [13.8372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2HfSnSe5]
_chemical_formula_sum '[Na8 Hf4 Sn4 Se20]'
_cell_volume [989.2750]
_cell_formula_units_Z [4]
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  4  0.0000  0.1006  0.6537  1.0
  Na  Na1  4  0.0000  0.1240  0.3240  1.0
  Hf  Hf2  4  0.0000  0.2328  0.0425  1.0
  Sn  Sn3  4  0.0000  0.4321  0.4217  1.0
  Se  Se4  4  0.0000  0.0641  0.0468  1.0
  Se  Se5  4  0.0000  0.2794  0.6693  1.0
  Se  Se6  4  0.0000  0.2906  0.4012  1.0
  Se  Se7  4  0.0000  0.3658  0.9989  1.0
  Se  Se8  4  0.0000  0.4998  0.2659  1.0
]