data_Li2CuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   3.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuPb
_chemical_formula_sum   'Li2 Cu1 Pb1'
_cell_volume   69.86
_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  0.5  0.52  0.93  1.0
  Li  Li2  1  0.5  0.48  0.93  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.99  0.0  0.0  1.0

data_Li2CuPb
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   3.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   Li2CuPb
_chemical_formula_sum   'Li2 Cu1 Pb1'
_cell_volume   69.86
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  2  0.5  0.48  0.93  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  -0.0  1.0

Li Li Cu Pb
Li Li Cu Pb 0 1 o o o 2 3 - o o 