data_MgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   7.43
_cell_angle_alpha   104.6
_cell_angle_beta   104.6
_cell_angle_gamma   29.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPb
_chemical_formula_sum   'Mg3 Pb3'
_cell_volume   162.19
_cell_formula_units_Z   3
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  0.19  0.0  0.17  1.0
  Mg  Mg1  1  0.55  0.0  0.35  1.0
  Mg  Mg2  1  0.54  0.0  0.73  1.0
  Pb  Pb3  1  0.62  0.0  0.85  1.0
  Pb  Pb4  1  0.04  0.0  0.38  1.0
  Pb  Pb5  1  0.12  0.0  0.01  1.0

data_MgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   6.8
_cell_length_c   7.43
_cell_angle_alpha   104.6
_cell_angle_beta   90.0
_cell_angle_gamma   104.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPb
_chemical_formula_sum   'Mg3 Pb3'
_cell_volume   162.19
_cell_formula_units_Z   3
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  0.45  0.65  1.0
  Mg  Mg1  1  0.0  0.46  0.27  1.0
  Mg  Mg2  1  0.0  0.81  0.83  1.0
  Pb  Pb3  1  0.0  0.38  0.15  1.0
  Pb  Pb4  1  0.0  0.88  0.99  1.0
  Pb  Pb5  1  0.0  0.96  0.62  1.0

Mg Mg Mg Pb Pb Pb