data_MnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   9.17
_cell_angle_alpha   112.21
_cell_angle_beta   112.21
_cell_angle_gamma   34.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPb2
_chemical_formula_sum   'Mn2 Pb4'
_cell_volume   151.04
_cell_formula_units_Z   2
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  0.41  0.0  0.93  1.0
  Mn  Mn1  1  0.79  0.0  0.49  1.0
  Pb  Pb2  1  0.35  0.0  0.54  1.0
  Pb  Pb3  1  0.91  0.0  0.68  1.0
  Pb  Pb4  1  0.29  0.0  0.75  1.0
  Pb  Pb5  1  0.85  0.0  0.89  1.0

data_MnPb2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.32
_cell_length_b   5.66
_cell_length_c   8.77
_cell_angle_alpha   75.52
_cell_angle_beta   79.1
_cell_angle_gamma   72.96
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnPb2
_chemical_formula_sum   'Mn2 Pb4'
_cell_volume   151.04
_cell_formula_units_Z   2
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
  Mn  Mn0  2  0.0  0.09  0.72  1.0
  Pb  Pb1  2  0.0  0.16  0.54  1.0
  Pb  Pb2  2  0.0  0.43  0.32  1.0

Mn Mn Pb Pb Pb Pb
Mn Mn Pb Pb Pb Pb 0 4 o o o 1 3 o o o 2 4 o o o 3 5 o o o 