data_LiNiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   4.04
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiTe2
_chemical_formula_sum   'Li1 Ni1 Te2'
_cell_volume   82.12
_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  0.02  0.71  1.0
  Te  Te2  1  0.88  0.02  0.0  1.0
  Te  Te3  1  0.88  0.0  0.71  1.0

data_LiNiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.04
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiTe2
_chemical_formula_sum   'Li1 Ni1 Te2'
_cell_volume   82.12
_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  0.02  0.71  1.0
  Te  Te2  1  0.88  0.0  0.71  1.0
  Te  Te3  1  0.88  0.02  -0.0  1.0

Li Ni Te Te
Li Ni Te Te 0 2 - o o 1 3 - o o 