data_LiPd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.02
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPd2Pt
_chemical_formula_sum   'Li1 Pd2 Pt1'
_cell_volume   59.71
_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  0.05  1.0
  Pd  Pd1  1  0.37  0.01  0.38  1.0
  Pd  Pd2  1  0.0  0.0  0.38  1.0
  Pt  Pt3  1  0.37  0.01  0.71  1.0

data_LiPd2Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.75
_cell_length_b   4.02
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiPd2Pt
_chemical_formula_sum   'Li1 Pd2 Pt1'
_cell_volume   59.71
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.05  1.0
  Pd  Pd1  1  0.0  0.0  0.38  1.0
  Pd  Pd2  1  0.37  0.0  0.38  1.0
  Pt  Pt3  1  0.37  0.0  0.71  1.0

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