data_LiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   151.84
_cell_angle_beta   141.02
_cell_angle_gamma   48.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb2
_chemical_formula_sum   'Li1 Sb2'
_cell_volume   77.67
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.29  1.0
  Sb  Sb2  1  0.0  0.0  0.38  1.0

data_LiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.27
_cell_length_c   6.4
_cell_angle_alpha   109.49
_cell_angle_beta   104.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb2
_chemical_formula_sum   'Li1 Sb2'
_cell_volume   77.67
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.62  0.62  0.62  1.0
  Sb  Sb2  1  0.71  0.71  0.71  1.0

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