data_[K1Li2Ac1Pb2]
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
  Ac  1.1000  1.9500  1.2600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1999]
_cell_length_b [5.1999]
_cell_length_c [8.5290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [KLi2AcPb2]
_chemical_formula_sum '[K1 Li2 Ac1 Pb2]'
_cell_volume [199.7225]
_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  1  0.0000  0.0000  0.0000  1
  Li  Li1  2  0.3333  0.6667  0.7138  1
  Ac  Ac2  1  0.0000  0.0000  0.5000  1
  Pb  Pb3  2  0.3333  0.6667  0.3005  1
]