data_MgAlPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.67
_cell_angle_alpha   103.6
_cell_angle_beta   103.6
_cell_angle_gamma   34.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlPb2
_chemical_formula_sum   'Mg1 Al1 Pb2'
_cell_volume   102.86
_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  Mg1  1  0.55  0.0  0.14  1.0
  Al  Al0  1  0.92  0.0  0.72  1.0
  Pb  Pb2  1  0.57  0.0  0.3  1.0
  Pb  Pb3  1  0.01  0.0  0.57  1.0

data_MgAlPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.67
_cell_length_c   5.76
_cell_angle_alpha   103.6
_cell_angle_beta   107.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAlPb2
_chemical_formula_sum   'Mg1 Al1 Pb2'
_cell_volume   102.86
_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  0.14  0.55  1.0
  Al  Al1  1  0.0  0.72  0.92  1.0
  Pb  Pb2  1  0.0  0.3  0.57  1.0
  Pb  Pb3  1  0.0  0.57  0.01  1.0

Mg Al Pb Pb