data_[Na4Hf6Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7159]
_cell_length_b [8.1046]
_cell_length_c [6.9315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Hf3Te8]
_chemical_formula_sum '[Na4 Hf6 Te16]'
_cell_volume [906.1883]
_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  4  0.2464  0.5000  0.6592  1.0
  Hf  Hf1  4  0.0000  0.2567  0.0000  1.0
  Hf  Hf2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.1070  0.2426  0.3972  1.0
  Te  Te4  4  0.1028  0.5000  0.8956  1.0
  Te  Te5  4  0.1086  0.0000  0.9016  1.0
]