data_MnBi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   131.6
_cell_angle_beta   131.6
_cell_angle_gamma   70.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBi2Pb
_chemical_formula_sum   'Mn1 Bi2 Pb1'
_cell_volume   114.26
_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  0.0  1.0
  Bi  Bi0  1  0.0  0.43  0.42  1.0
  Bi  Bi1  1  0.43  0.0  0.42  1.0
  Pb  Pb3  1  0.0  0.0  0.83  1.0

data_MnBi2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   125.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnBi2Pb
_chemical_formula_sum   'Mn2 Bi4 Pb2'
_cell_volume   228.52
_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  0.0  1.0
  Bi  Bi1  4  0.3  0.28  0.01  1.0
  Pb  Pb2  2  0.17  0.0  0.17  1.0

Mn Bi Bi Pb