data_K2LiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   132.36
_cell_angle_beta   121.09
_cell_angle_gamma   79.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiBi
_chemical_formula_sum   'K2 Li1 Bi1'
_cell_volume   151.31
_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  K1  1  0.0  0.0  0.36  1.0
  K  K2  1  0.53  0.0  0.66  1.0
  Li  Li3  1  0.0  0.0  0.55  1.0
  Bi  Bi0  1  0.0  0.08  0.79  1.0

data_K2LiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.07
_cell_length_b   6.17
_cell_length_c   6.27
_cell_angle_alpha   119.45
_cell_angle_beta   113.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiBi
_chemical_formula_sum   'K2 Li1 Bi1'
_cell_volume   151.31
_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  0.36  0.36  1.0
  K  K1  1  0.0  0.66  0.13  1.0
  Li  Li2  1  0.0  0.55  0.55  1.0
  Bi  Bi3  1  0.92  0.7  0.7  1.0

K K Li Bi
K K Li Bi 0 2 o o o 0 1 o o o 1 2 o o o 1 2 + o o 1 3 + o o 2 3 o o o 