data_MnSiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   3.35
_cell_angle_alpha   91.15
_cell_angle_beta   91.15
_cell_angle_gamma   99.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiPb2
_chemical_formula_sum   'Mn1 Si1 Pb2'
_cell_volume   92.31
_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  0.43  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.66  0.01  0.67  1.0
  Pb  Pb2  1  0.66  0.99  0.67  1.0

data_MnSiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   99.08
_cell_angle_beta   91.15
_cell_angle_gamma   91.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiPb2
_chemical_formula_sum   'Mn1 Si1 Pb2'
_cell_volume   92.31
_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  0.0  0.43  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.67  0.66  0.01  1.0
  Pb  Pb3  1  0.67  0.66  0.99  1.0

Mn Si Pb Pb
Mn Si Pb Pb 0 3 o - - 0 2 o o - 0 1 o o o 1 3 - - - 1 2 - o - 2 3 o - o 