data_MgPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   9.17
_cell_angle_alpha   22.39
_cell_angle_beta   22.39
_cell_angle_gamma   22.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPdPb2
_chemical_formula_sum   'Mg1 Pd1 Pb2'
_cell_volume   98.0
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.4  1.0
  Pb  Pb1  1  0.0  0.0  0.47  1.0
  Pb  Pb2  1  0.0  0.0  0.32  1.0

data_MgPdPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.17
_cell_length_b   3.56
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   102.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgPdPb2
_chemical_formula_sum   'Mg2 Pd2 Pb4'
_cell_volume   196.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  0.0  0.0  0.6  1.0
  Pb  Pb2  2  0.0  0.0  0.53  1.0
  Pb  Pb3  2  0.0  0.0  0.68  1.0

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