data_[Na2Hf2Ni2Te6]
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
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5683]
_cell_length_b [3.9282]
_cell_length_c [10.4018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaHfNiTe3]
_chemical_formula_sum '[Na2 Hf2 Ni2 Te6]'
_cell_volume [325.0355]
_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  0.2664  0.2500  0.2878  1.0
  Hf  Hf1  2  0.2938  0.7500  0.8204  1.0
  Ni  Ni2  2  0.0906  0.2500  0.6043  1.0
  Te  Te3  2  0.0646  0.2500  0.8428  1.0
  Te  Te4  2  0.2317  0.7500  0.5326  1.0
  Te  Te5  2  0.4355  0.7500  0.1322  1.0
]