data_[K6Li3Zr9S24]
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
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4604]
_cell_length_b [7.4604]
_cell_length_c [24.0247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K2LiZr3S8]
_chemical_formula_sum '[K6 Li3 Zr9 S24]'
_cell_volume [1158.0191]
_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  0.1379  1.0
  K  K1  3  0.0000  0.0000  0.4889  1.0
  Li  Li2  3  0.0000  0.0000  0.9848  1.0
  Zr  Zr3  9  0.1690  0.8310  0.3224  1.0
  S  S4  9  0.0122  0.5061  0.2615  1.0
  S  S5  9  0.1724  0.3448  0.0493  1.0
  S  S6  3  0.0000  0.0000  0.2628  1.0
  S  S7  3  0.0000  0.0000  0.7184  1.0
]