data_LiPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPtPb2
_chemical_formula_sum   'Li1 Pt1 Pb2'
_cell_volume   88.85
_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  0.33  1.0
  Pt  Pt3  1  0.38  0.0  0.45  1.0
  Pb  Pb1  1  0.38  0.0  0.5  1.0
  Pb  Pb2  1  0.0  0.0  0.25  1.0

data_LiPtPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiPtPb2
_chemical_formula_sum   'Li1 Pt1 Pb2'
_cell_volume   88.86
_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  0.33  1.0
  Pt  Pt1  1  0.38  0.0  0.45  1.0
  Pb  Pb2  1  0.0  0.0  0.25  1.0
  Pb  Pb3  1  0.38  0.0  0.5  1.0

Li Pt Pb Pb
Li Pt Pb Pb 0 3 o o o 1 2 o o o 