data_MnPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   116.8
_cell_angle_beta   116.8
_cell_angle_gamma   116.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPb3
_chemical_formula_sum   'Mn1 Pb3'
_cell_volume   111.15
_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
  Pb  Pb1  1  0.34  0.46  0.13  1.0
  Pb  Pb2  1  0.66  0.46  0.13  1.0
  Pb  Pb3  1  0.0  0.07  0.13  1.0

data_MnPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   116.8
_cell_angle_beta   100.43
_cell_angle_gamma   100.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPb3
_chemical_formula_sum   'Mn1 Pb3'
_cell_volume   111.15
_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
  Pb  Pb1  1  0.13  0.13  0.06  1.0
  Pb  Pb2  1  0.13  0.47  0.67  1.0
  Pb  Pb3  1  0.13  0.79  0.67  1.0

Mn Pb Pb Pb