data_[K12Hf4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8497]
_cell_length_b [14.3250]
_cell_length_c [11.5744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3HfTe3]
_chemical_formula_sum '[K12 Hf4 Te12]'
_cell_volume [1152.4799]
_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
[
  K  K0  4  0.1107  0.1915  0.4036  1
  K  K1  4  0.3549  0.5616  0.0941  1
  K  K2  4  0.4046  0.6396  0.5315  1
  Hf  Hf3  4  0.0577  0.5492  0.6457  1
  Te  Te4  4  0.1395  0.0335  0.7416  1
  Te  Te5  4  0.1729  0.1306  0.1354  1
  Te  Te6  4  0.3727  0.6665  0.8213  1
]