data_MnNbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   4.04
_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   MnNbPb2
_chemical_formula_sum   'Mn1 Nb1 Pb2'
_cell_volume   86.72
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.21  1.0
  Pb  Pb2  1  0.67  0.02  0.82  1.0
  Pb  Pb3  1  0.67  0.02  0.6  1.0

data_MnNbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.04
_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   MnNbPb2
_chemical_formula_sum   'Mn1 Nb1 Pb2'
_cell_volume   86.72
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.21  1.0
  Pb  Pb2  1  0.67  0.02  0.6  1.0
  Pb  Pb3  1  0.67  0.02  0.82  1.0

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