data_MnBi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBi2Pb
_chemical_formula_sum   'Mn1 Bi2 Pb1'
_cell_volume   108.49
_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  Mn2  1  0.0  0.0  0.07  1.0
  Bi  Bi0  1  0.0  0.0  0.04  1.0
  Bi  Bi1  1  0.79  0.79  0.6  1.0
  Pb  Pb3  1  0.79  0.79  0.96  1.0

data_MnBi2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBi2Pb
_chemical_formula_sum   'Mn2 Bi4 Pb2'
_cell_volume   216.97
_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
  Mn  Mn0  2  0.0  0.0  0.07  1.0
  Bi  Bi1  2  0.0  0.0  0.04  1.0
  Bi  Bi2  2  0.29  0.5  0.6  1.0
  Pb  Pb3  2  0.29  0.5  0.96  1.0

Mn Bi Bi Pb
Mn Bi Bi Pb 0 1 o o o 0 3 - - - 1 2 - - - 1 3 - - - 2 2 + o o 2 2 o + o 2 3 o o o 