data_[K4Rb4Hf4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5966]
_cell_length_b [14.9029]
_cell_length_c [6.8468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KRbHfS3]
_chemical_formula_sum '[K4 Rb4 Hf4 S12]'
_cell_volume [759.6852]
_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
[
  Rb  Rb0  4  0.0000  0.2387  0.7500  1.0
  K  K1  4  0.0000  0.4141  0.2500  1.0
  Hf  Hf2  4  0.0000  0.0492  0.2500  1.0
  S  S3  8  0.2114  0.9614  0.4991  1.0
  S  S4  4  0.0000  0.2085  0.2500  1.0
]