data_[K6Hf2Ti4Te12]
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
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2548]
_cell_length_b [12.4973]
_cell_length_c [8.5949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Hf(TiTe3)2]
_chemical_formula_sum '[K6 Hf2 Ti4 Te12]'
_cell_volume [748.6297]
_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  0.1692  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Hf  Hf2  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti3  4  0.0000  0.3453  0.0000  1.0
  Te  Te4  8  0.2308  0.1700  0.1911  1.0
  Te  Te5  4  0.2340  0.5000  0.2027  1.0
]