data_Na2MgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   3.13
_cell_angle_alpha   102.91
_cell_angle_beta   102.91
_cell_angle_gamma   124.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgPd
_chemical_formula_sum   'Na2 Mg1 Pd1'
_cell_volume   84.2
_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
  Na  Na1  1  0.66  0.71  0.37  1.0
  Na  Na2  1  0.66  0.29  0.37  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.83  0.0  0.0  1.0

data_Na2MgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.98
_cell_length_c   6.12
_cell_angle_alpha   112.76
_cell_angle_beta   102.91
_cell_angle_gamma   94.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MgPd
_chemical_formula_sum   'Na2 Mg1 Pd1'
_cell_volume   84.2
_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
  Na  Na0  1  0.08  0.71  0.37  1.0
  Na  Na1  1  0.66  0.29  0.95  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  -0.0  0.0  0.83  1.0

Na Na Mg Pd