data_Mn3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   13.89
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Pb
_chemical_formula_sum   'Mn18 Pb6'
_cell_volume   393.34
_cell_formula_units_Z   6
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  0.2  0.34  0.8  1.0
  Mn  Mn1  1  0.2  0.55  0.8  1.0
  Mn  Mn2  1  0.21  0.94  0.76  1.0
  Mn  Mn3  1  0.19  0.0  0.3  1.0
  Mn  Mn4  1  0.2  0.28  0.26  1.0
  Mn  Mn5  1  0.2  0.61  0.26  1.0
  Mn  Mn6  1  0.0  0.0  0.03  1.0
  Mn  Mn7  1  0.0  0.26  0.76  1.0
  Mn  Mn8  1  0.0  0.63  0.76  1.0
  Mn  Mn9  1  0.4  0.34  0.8  1.0
  Mn  Mn10  1  0.4  0.55  0.8  1.0
  Mn  Mn11  1  0.39  0.94  0.76  1.0
  Mn  Mn12  1  0.41  0.0  0.3  1.0
  Mn  Mn13  1  0.4  0.28  0.26  1.0
  Mn  Mn14  1  0.4  0.61  0.26  1.0
  Mn  Mn15  1  0.8  0.94  0.03  1.0
  Mn  Mn16  1  0.8  0.32  0.3  1.0
  Mn  Mn17  1  0.8  0.57  0.3  1.0
  Pb  Pb18  1  0.0  0.94  0.15  1.0
  Pb  Pb19  1  0.0  0.27  0.33  1.0
  Pb  Pb20  1  0.0  0.62  0.33  1.0
  Pb  Pb21  1  0.8  0.0  0.9  1.0
  Pb  Pb22  1  0.8  0.21  0.73  1.0
  Pb  Pb23  1  0.8  0.67  0.73  1.0

data_Mn3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   5.6
_cell_length_c   13.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Pb
_chemical_formula_sum   'Mn18 Pb6'
_cell_volume   393.34
_cell_formula_units_Z   6
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  0.03  0.0  0.0  1.0
  Mn  Mn1  1  0.03  0.8  0.94  1.0
  Mn  Mn2  1  0.26  0.2  0.28  1.0
  Mn  Mn3  1  0.26  0.2  0.61  1.0
  Mn  Mn4  1  0.26  0.4  0.28  1.0
  Mn  Mn5  1  0.26  0.4  0.61  1.0
  Mn  Mn6  1  0.3  0.8  0.32  1.0
  Mn  Mn7  1  0.3  0.8  0.57  1.0
  Mn  Mn8  1  0.3  0.19  0.0  1.0
  Mn  Mn9  1  0.3  0.41  0.0  1.0
  Mn  Mn10  1  0.76  0.21  0.94  1.0
  Mn  Mn11  1  0.76  0.39  0.94  1.0
  Mn  Mn12  1  0.76  0.0  0.26  1.0
  Mn  Mn13  1  0.76  0.0  0.63  1.0
  Mn  Mn14  1  0.8  0.2  0.34  1.0
  Mn  Mn15  1  0.8  0.2  0.55  1.0
  Mn  Mn16  1  0.8  0.4  0.34  1.0
  Mn  Mn17  1  0.8  0.4  0.55  1.0
  Pb  Pb18  1  0.15  0.0  0.94  1.0
  Pb  Pb19  1  0.33  0.0  0.27  1.0
  Pb  Pb20  1  0.33  0.0  0.62  1.0
  Pb  Pb21  1  0.73  0.8  0.21  1.0
  Pb  Pb22  1  0.73  0.8  0.67  1.0
  Pb  Pb23  1  0.9  0.8  0.0  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Pb Pb Pb Pb Pb Pb
Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Pb Pb Pb Pb Pb Pb 0 9 o o o 1 10 o o o 2 11 o o o 3 12 o o o 4 19 o o o 4 13 o o o 5 20 o o o 5 14 o o o 6 18 o - o 7 22 - o o 8 23 - o o 15 21 o + - 16 19 + o o 17 20 + o o 