data_Li2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   122.56
_cell_angle_beta   122.56
_cell_angle_gamma   85.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2IrPt
_chemical_formula_sum   'Li2 Ir1 Pt1'
_cell_volume   55.74
_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  0.09  0.6  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.19  1.0
  Pt  Pt3  1  0.09  0.0  0.6  1.0

data_Li2IrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   4.35
_cell_angle_alpha   118.72
_cell_angle_beta   118.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2IrPt
_chemical_formula_sum   'Li2 Ir1 Pt1'
_cell_volume   55.74
_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
  Li  Li1  1  0.51  0.6  0.51  1.0
  Ir  Ir2  1  0.19  0.19  0.19  1.0
  Pt  Pt3  1  0.6  0.51  0.51  1.0

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