data_Mn2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.97
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SnPb
_chemical_formula_sum   'Mn2 Sn1 Pb1'
_cell_volume   80.82
_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
  Mn  Mn0  1  0.59  0.98  0.44  1.0
  Mn  Mn1  1  0.59  0.98  0.98  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.21  1.0

data_Mn2SnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   3.97
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2SnPb
_chemical_formula_sum   'Mn2 Sn1 Pb1'
_cell_volume   80.82
_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
  Mn  Mn0  1  0.59  0.98  0.44  1.0
  Mn  Mn1  1  0.59  0.98  0.98  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.21  1.0

Mn Mn Sn Pb
Mn Mn Sn Pb 0 3 o + o 0 3 + + o 1 2 + + + 2 3 o o o 