data_[K3Li1As2S6]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.1805]
_cell_length_b [7.1805]
_cell_length_c [8.3471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Li(AsS3)2]
_chemical_formula_sum '[K3 Li1 As2 S6]'
_cell_volume [372.7092]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6436  1
  K  K1  1  0.0000  0.0000  0.0000  1
  Li  Li2  1  0.0000  0.0000  0.5000  1
  As  As3  2  0.3333  0.6667  0.2217  1
  S  S4  6  0.1659  0.3318  0.2996  1
]