data_[K6Hf9Cd3S24]
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
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.5151]
_cell_length_b [7.5151]
_cell_length_c [23.8371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K2Hf3CdS8]
_chemical_formula_sum '[K6 Hf9 Cd3 S24]'
_cell_volume [1165.8757]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1384  1.0
  K  K1  3  0.0000  0.0000  0.4878  1.0
  Hf  Hf2  9  0.1688  0.3376  0.3237  1.0
  Cd  Cd3  3  0.0000  0.0000  0.9802  1.0
  S  S4  9  0.0234  0.5117  0.2613  1.0
  S  S5  9  0.1738  0.3475  0.0494  1.0
  S  S6  3  0.0000  0.0000  0.2654  1.0
  S  S7  3  0.0000  0.0000  0.7178  1.0
]