data_KLiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   150.05
_cell_angle_beta   139.87
_cell_angle_gamma   50.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiSb
_chemical_formula_sum   'K1 Li1 Sb1'
_cell_volume   92.45
_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  0.0  0.79  1.0
  Li  Li1  1  0.0  0.0  0.69  1.0
  Sb  Sb2  1  0.0  0.0  0.39  1.0

data_KLiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.54
_cell_length_c   6.61
_cell_angle_alpha   110.07
_cell_angle_beta   104.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiSb
_chemical_formula_sum   'K1 Li1 Sb1'
_cell_volume   92.45
_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  0.21  0.21  0.21  1.0
  Li  Li1  1  0.31  0.31  0.31  1.0
  Sb  Sb2  1  0.61  0.61  0.61  1.0

K Li Sb
K Li Sb 0 1 o o o 1 2 o o o 