data_Mg2AlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   128.46
_cell_angle_beta   128.46
_cell_angle_gamma   75.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlPd
_chemical_formula_sum   'Mg2 Al1 Pd1'
_cell_volume   68.1
_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  0.0  0.11  0.91  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.83  1.0
  Pd  Pd3  1  0.11  0.0  0.91  1.0

data_Mg2AlPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   4.85
_cell_angle_alpha   115.77
_cell_angle_beta   115.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlPd
_chemical_formula_sum   'Mg2 Al1 Pd1'
_cell_volume   68.1
_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
  Mg  Mg1  1  0.8  0.91  0.8  1.0
  Al  Al2  1  0.83  0.83  0.83  1.0
  Pd  Pd3  1  0.91  0.8  0.8  1.0

Mg Mg Al Pd