data_Mn3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   5.62
_cell_length_c   5.13
_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   'Mn6 Pb2'
_cell_volume   131.97
_cell_formula_units_Z   2
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  0.63  1.0
  Mn  Mn1  1  0.29  0.81  0.5  1.0
  Mn  Mn2  1  0.29  0.4  0.73  1.0
  Mn  Mn3  1  0.29  0.21  0.73  1.0
  Mn  Mn4  1  0.0  0.21  0.41  1.0
  Mn  Mn5  1  0.0  0.41  0.41  1.0
  Pb  Pb6  1  0.29  0.0  0.34  1.0
  Pb  Pb7  1  0.0  0.81  0.79  1.0

data_Mn3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   5.13
_cell_length_c   5.62
_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   'Mn6 Pb2'
_cell_volume   131.97
_cell_formula_units_Z   2
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  0.37  0.0  1.0
  Mn  Mn1  1  0.0  0.59  0.59  1.0
  Mn  Mn2  1  0.0  0.59  0.79  1.0
  Mn  Mn3  1  0.71  0.27  0.6  1.0
  Mn  Mn4  1  0.71  0.27  0.79  1.0
  Mn  Mn5  1  0.71  0.5  0.19  1.0
  Pb  Pb6  1  0.0  0.21  0.19  1.0
  Pb  Pb7  1  0.71  0.66  0.0  1.0

Mn Mn Mn Mn Mn Mn Pb Pb