data_LiNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.7
_cell_length_b   7.7
_cell_length_c   7.7
_cell_angle_alpha   23.55
_cell_angle_beta   23.55
_cell_angle_gamma   23.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2Sb
_chemical_formula_sum   'Li1 Ni2 Sb1'
_cell_volume   64.07
_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
  Ni  Ni1  1  0.0  0.0  0.57  1.0
  Ni  Ni2  1  0.0  0.0  0.89  1.0
  Sb  Sb3  1  0.0  0.0  0.23  1.0

data_LiNi2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   103.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiNi2Sb
_chemical_formula_sum   'Li2 Ni4 Sb2'
_cell_volume   128.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  -0.0  0.0  0.43  1.0
  Ni  Ni2  2  -0.0  0.0  0.11  1.0
  Sb  Sb3  2  -0.0  0.0  0.77  1.0

Li Ni Ni Sb