data_KLiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   131.51
_cell_angle_beta   131.51
_cell_angle_gamma   71.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiSb2
_chemical_formula_sum   'K1 Li1 Sb2'
_cell_volume   116.04
_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  0.0  0.45  0.42  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.45  0.0  0.42  1.0
  Sb  Sb3  1  0.0  0.0  0.85  1.0

data_KLiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.96
_cell_angle_alpha   114.24
_cell_angle_beta   114.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiSb2
_chemical_formula_sum   'K1 Li1 Sb2'
_cell_volume   116.04
_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  0.02  0.45  0.02  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.15  0.0  0.15  1.0
  Sb  Sb3  1  0.58  0.0  0.02  1.0

K Li Sb Sb