data_LiNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.06
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   98.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2Sb
_chemical_formula_sum   'Li1 Ni2 Sb1'
_cell_volume   57.23
_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  0.93  0.03  0.17  1.0
  Ni  Ni2  1  0.2  0.03  0.74  1.0
  Sb  Sb3  1  0.06  0.0  0.46  1.0

data_LiNi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.06
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   98.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2Sb
_chemical_formula_sum   'Li1 Ni2 Sb1'
_cell_volume   57.23
_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  0.2  0.03  0.74  1.0
  Ni  Ni2  1  0.93  0.03  0.17  1.0
  Sb  Sb3  1  0.06  0.0  0.46  1.0

Li Ni Ni Sb
Li Ni Ni Sb 0 1 - o o 0 2 o o - 1 3 + o o 2 3 o o o 