data_[K6Hf4Cu2Te12]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3991]
_cell_length_b [12.8085]
_cell_length_c [8.5037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Hf2CuTe6]
_chemical_formula_sum '[K6 Hf4 Cu2 Te12]'
_cell_volume [771.2267]
_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  4  0.0000  0.1660  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Hf  Hf2  4  0.0000  0.3332  0.0000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2315  0.1671  0.1928  1.0
  Te  Te5  4  0.2294  0.5000  0.1933  1.0
]