data_Mn3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Pb
_chemical_formula_sum   'Mn12 Pb4'
_cell_volume   256.28
_cell_formula_units_Z   4
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  0.58  0.46  0.58  1.0
  Mn  Mn1  1  0.58  0.46  0.0  1.0
  Mn  Mn2  1  0.42  0.46  0.58  1.0
  Mn  Mn3  1  0.84  0.0  0.58  1.0
  Mn  Mn4  1  0.84  0.0  0.0  1.0
  Mn  Mn5  1  0.42  0.46  0.0  1.0
  Mn  Mn6  1  0.33  0.05  0.87  1.0
  Mn  Mn7  1  0.51  0.87  0.29  1.0
  Mn  Mn8  1  0.67  0.05  0.87  1.0
  Mn  Mn9  1  0.0  0.75  0.87  1.0
  Mn  Mn10  1  0.84  0.17  0.29  1.0
  Mn  Mn11  1  0.17  0.87  0.29  1.0
  Pb  Pb12  1  0.0  0.0  0.58  1.0
  Pb  Pb13  1  0.0  0.0  0.0  1.0
  Pb  Pb14  1  0.84  0.64  0.87  1.0
  Pb  Pb15  1  0.0  0.28  0.29  1.0

data_Mn3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Pb
_chemical_formula_sum   'Mn12 Pb4'
_cell_volume   256.28
_cell_formula_units_Z   4
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  0.75  0.87  1.0
  Mn  Mn1  1  0.17  0.87  0.29  1.0
  Mn  Mn2  1  0.33  0.05  0.87  1.0
  Mn  Mn3  1  0.42  0.46  0.0  1.0
  Mn  Mn4  1  0.42  0.46  0.58  1.0
  Mn  Mn5  1  0.51  0.87  0.29  1.0
  Mn  Mn6  1  0.58  0.46  0.0  1.0
  Mn  Mn7  1  0.58  0.46  0.58  1.0
  Mn  Mn8  1  0.67  0.05  0.87  1.0
  Mn  Mn9  1  0.84  0.0  0.0  1.0
  Mn  Mn10  1  0.84  0.0  0.58  1.0
  Mn  Mn11  1  0.84  0.17  0.29  1.0
  Pb  Pb12  1  0.0  0.0  0.0  1.0
  Pb  Pb13  1  0.0  0.0  0.58  1.0
  Pb  Pb14  1  0.0  0.28  0.29  1.0
  Pb  Pb15  1  0.84  0.64  0.87  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Pb Pb Pb Pb