data_[K2Hf2Ni2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [9.5945]
_cell_length_b [3.9998]
_cell_length_c [10.3649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHfNiTe3]
_chemical_formula_sum '[K2 Hf2 Ni2 Te6]'
_cell_volume [360.2712]
_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
[
  K  K0  2  0.2360  0.7500  0.2538  1.0
  Hf  Hf1  2  0.2981  0.2500  0.8264  1.0
  Ni  Ni2  2  0.0936  0.7500  0.6065  1.0
  Te  Te3  2  0.1013  0.7500  0.8576  1.0
  Te  Te4  2  0.2029  0.2500  0.5269  1.0
  Te  Te5  2  0.4668  0.2500  0.1457  1.0
]