data_Li2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.61
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2IrPt
_chemical_formula_sum   'Li2 Ir1 Pt1'
_cell_volume   56.01
_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  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.37  0.31  0.75  1.0
  Ir  Ir0  1  0.0  0.31  0.54  1.0
  Pt  Pt3  1  0.37  0.0  0.78  1.0

data_Li2IrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.43
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2IrPt
_chemical_formula_sum   'Li2 Ir1 Pt1'
_cell_volume   56.01
_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  1.0  0.0  1.0
  Li  Li1  1  0.63  0.25  0.69  1.0
  Ir  Ir2  1  0.0  0.46  0.69  1.0
  Pt  Pt3  1  0.63  0.22  0.0  1.0

Li Li Ir Pt
Li Li Ir Pt 0 3 o o - 1 2 o o o 1 3 o o o 