data_[Li6Hf9Pb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4563]
_cell_length_b [7.4563]
_cell_length_c [22.0287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li2Hf3PbS8]
_chemical_formula_sum '[Li6 Hf9 Pb3 S24]'
_cell_volume [1060.6328]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0280  1
  Li  Li1  3  0.0000  0.0000  0.4703  1
  Hf  Hf2  9  0.0100  0.5050  0.0113  1
  Pb  Pb3  3  0.0000  0.0000  0.8790  1
  S  S4  9  0.0190  0.5095  0.2789  1
  S  S5  9  0.1742  0.3484  0.0766  1
  S  S6  3  0.0000  0.0000  0.2771  1
  S  S7  3  0.0000  0.0000  0.7378  1
]