data_MgPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   121.16
_cell_angle_beta   121.16
_cell_angle_gamma   88.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPtPb2
_chemical_formula_sum   'Mg1 Pt1 Pb2'
_cell_volume   92.06
_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
  Pt  Pt3  1  0.0  0.0  0.67  1.0
  Pb  Pb1  1  0.5  0.0  0.83  1.0
  Pb  Pb2  1  0.0  0.5  0.83  1.0

data_MgPtPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   134.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgPtPb2
_chemical_formula_sum   'Mg2 Pt2 Pb4'
_cell_volume   184.13
_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
  Pt  Pt1  2  0.33  0.0  0.33  1.0
  Pb  Pb2  4  0.42  0.25  0.67  1.0

Mg Pt Pb Pb
Mg Pt Pb Pb 0 1 o o - 0 2 - o - 0 3 o - - 1 2 o o o 1 3 o o o 