data_[K8Hf4Ga4Te20]
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
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0390]
_cell_length_b [21.6424]
_cell_length_c [15.3931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2HfGaTe5]
_chemical_formula_sum '[K8 Hf4 Ga4 Te20]'
_cell_volume [1345.5804]
_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  0.0000  0.1229  0.3242  1.0
  K  K1  4  0.0000  0.1351  0.6901  1.0
  Hf  Hf2  4  0.0000  0.2059  0.0301  1.0
  Ga  Ga3  4  0.0000  0.4269  0.4188  1.0
  Te  Te4  4  0.0000  0.0634  0.0311  1.0
  Te  Te5  4  0.0000  0.3008  0.6601  1.0
  Te  Te6  4  0.0000  0.3038  0.3892  1.0
  Te  Te7  4  0.0000  0.3337  0.0054  1.0
  Te  Te8  4  0.0000  0.4893  0.2751  1.0
]