data_Li2Re2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   151.47
_cell_angle_beta   151.47
_cell_angle_gamma   40.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Re2Pb
_chemical_formula_sum   'Li2 Re2 Pb1'
_cell_volume   88.5
_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  0.21  1.0
  Li  Li1  1  0.0  0.0  0.47  1.0
  Re  Re3  1  0.0  0.8  0.42  1.0
  Re  Re4  1  0.8  0.0  0.42  1.0
  Pb  Pb2  1  0.0  0.0  0.0  1.0

data_Li2Re2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   110.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2Re2Pb
_chemical_formula_sum   'Li4 Re4 Pb2'
_cell_volume   176.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.21  0.0  0.21  1.0
  Li  Li1  2  0.47  0.0  0.47  1.0
  Re  Re2  4  0.02  0.4  0.62  1.0
  Pb  Pb3  2  0.0  0.0  0.0  1.0

Li Li Re Re Pb
Li Li Re Re Pb 0 4 o o o 1 3 - o o 1 2 o - o 2 3 - + o 