data_Mg2PPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.66
_cell_angle_alpha   104.97
_cell_angle_beta   104.97
_cell_angle_gamma   32.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2PPd
_chemical_formula_sum   'Mg2 P1 Pd1'
_cell_volume   67.82
_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  0.19  0.0  0.26  1.0
  Mg  Mg1  1  0.43  0.0  0.12  1.0
  P  P2  1  0.12  0.0  0.35  1.0
  Pd  Pd3  1  0.67  0.0  1.0  1.0

data_Mg2PPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.66
_cell_length_c   5.31
_cell_angle_alpha   104.97
_cell_angle_beta   106.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2PPd
_chemical_formula_sum   'Mg2 P1 Pd1'
_cell_volume   67.82
_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  0.12  0.43  1.0
  Mg  Mg1  1  0.0  0.26  0.19  1.0
  P  P2  1  0.0  0.35  0.12  1.0
  Pd  Pd3  1  0.0  1.0  0.67  1.0

Mg Mg P Pd