data_LiNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   135.28
_cell_angle_beta   131.49
_cell_angle_gamma   68.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2Sn
_chemical_formula_sum   'Li1 Ni2 Sn1'
_cell_volume   54.1
_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  0.9  1.0
  Ni  Ni1  1  0.79  0.0  0.02  1.0
  Ni  Ni2  1  0.0  0.0  0.91  1.0
  Sn  Sn3  1  0.79  0.0  0.88  1.0

data_LiNi2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.87
_cell_length_c   4.71
_cell_angle_alpha   114.26
_cell_angle_beta   112.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2Sn
_chemical_formula_sum   'Li1 Ni2 Sn1'
_cell_volume   54.1
_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  0.1  0.1  0.1  1.0
  Ni  Ni1  1  0.09  0.09  0.09  1.0
  Ni  Ni2  1  0.77  0.98  0.77  1.0
  Sn  Sn3  1  0.91  0.12  0.91  1.0

Li Ni Ni Sn