data_MnPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.4
_cell_angle_alpha   94.1
_cell_angle_beta   94.1
_cell_angle_gamma   95.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPdPb2
_chemical_formula_sum   'Mn1 Pd1 Pb2'
_cell_volume   85.51
_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
  Pd  Pd3  1  0.4  0.0  0.0  1.0
  Pb  Pb1  1  0.52  0.86  0.69  1.0
  Pb  Pb2  1  0.52  0.14  0.69  1.0

data_MnPdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   95.09
_cell_angle_beta   94.1
_cell_angle_gamma   94.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPdPb2
_chemical_formula_sum   'Mn1 Pd1 Pb2'
_cell_volume   85.51
_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
  Pd  Pd1  1  0.0  0.4  0.0  1.0
  Pb  Pb2  1  0.69  0.52  0.14  1.0
  Pb  Pb3  1  0.69  0.52  0.86  1.0

Mn Pd Pb Pb
Mn Pd Pb Pb 0 1 o o o 1 2 o - - 1 3 o o - 2 3 o + o 