data_LiNiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   145.86
_cell_angle_beta   129.68
_cell_angle_gamma   62.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiPt
_chemical_formula_sum   'Li1 Ni1 Pt1'
_cell_volume   38.84
_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  0.69  1.0
  Ni  Ni1  1  0.0  0.0  0.17  1.0
  Pt  Pt2  1  0.0  0.0  0.54  1.0

data_LiNiPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   3.82
_cell_length_c   4.5
_cell_angle_alpha   115.16
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiPt
_chemical_formula_sum   'Li1 Ni1 Pt1'
_cell_volume   38.84
_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  0.31  0.31  0.31  1.0
  Ni  Ni1  1  0.83  0.83  0.83  1.0
  Pt  Pt2  1  0.46  0.46  0.46  1.0

Li Ni Pt
Li Ni Pt 0 2 o o o 1 2 o o o 