data_[K9Er9Hf3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8555]
_cell_length_b [7.8555]
_cell_length_c [22.5050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K3Er3HfS8]
_chemical_formula_sum '[K9 Er9 Hf3 S24]'
_cell_volume [1202.7000]
_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  9  0.0000  0.5000  0.5000  1
  Er  Er1  9  0.0000  0.5000  0.0000  1
  Hf  Hf2  3  -0.0000  -0.0000  0.0000  1
  S  S3  18  0.0166  0.5083  0.7305  1
  S  S4  6  0.0000  0.0000  0.2669  1
]