data_[K4Li2Hf4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4338]
_cell_length_b [11.1666]
_cell_length_c [7.8598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Li(HfS3)2]
_chemical_formula_sum '[K4 Li2 Hf4 S12]'
_cell_volume [545.7740]
_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  0.1620  0.0000  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Hf  Hf2  4  0.0000  0.3335  0.5000  1.0
  S  S3  8  0.2350  0.1749  0.6908  1.0
  S  S4  4  0.2071  0.5000  0.6927  1.0
]