data_Mg2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   3.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnPb
_chemical_formula_sum   'Mg2 Sn1 Pb1'
_cell_volume   100.82
_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
  Mg  Mg0  1  0.72  0.14  0.71  1.0
  Mg  Mg1  1  0.72  0.86  0.71  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.44  0.0  0.0  1.0

data_Mg2SnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   102.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnPb
_chemical_formula_sum   'Mg2 Sn1 Pb1'
_cell_volume   100.82
_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
  Mg  Mg0  1  0.71  0.72  0.14  1.0
  Mg  Mg1  1  0.71  0.72  0.86  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  -0.0  0.44  0.0  1.0

Mg Mg Sn Pb
Mg Mg Sn Pb 0 3 o o + 0 1 o - o 0 2 + o + 1 2 + + + 1 3 o + + 