data_MgPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPd3
_chemical_formula_sum   'Mg6 Pd18'
_cell_volume   390.2
_cell_formula_units_Z   6
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  0.56  0.23  0.46  1.0
  Mg  Mg1  1  0.3  0.24  0.46  1.0
  Mg  Mg2  1  0.88  0.0  0.46  1.0
  Mg  Mg3  1  0.7  0.24  0.43  1.0
  Mg  Mg4  1  0.44  0.23  0.43  1.0
  Mg  Mg5  1  0.59  0.0  0.43  1.0
  Pd  Pd6  1  0.62  0.12  0.19  1.0
  Pd  Pd7  1  0.36  0.35  0.19  1.0
  Pd  Pd8  1  0.76  0.0  0.19  1.0
  Pd  Pd9  1  0.64  0.35  0.15  1.0
  Pd  Pd10  1  0.38  0.12  0.15  1.0
  Pd  Pd11  1  0.71  0.0  0.15  1.0
  Pd  Pd12  1  0.99  0.75  0.85  1.0
  Pd  Pd13  1  0.73  0.72  0.85  1.0
  Pd  Pd14  1  0.02  0.0  0.85  1.0
  Pd  Pd15  1  0.27  0.72  0.81  1.0
  Pd  Pd16  1  0.01  0.75  0.81  1.0
  Pd  Pd17  1  0.46  0.0  0.81  1.0
  Pd  Pd18  1  0.74  0.16  0.69  1.0
  Pd  Pd19  1  0.0  0.31  0.65  1.0
  Pd  Pd20  1  0.74  0.16  0.65  1.0
  Pd  Pd21  1  0.0  0.31  0.69  1.0
  Pd  Pd22  1  0.0  0.0  0.79  1.0
  Pd  Pd23  1  0.0  0.0  0.83  1.0

data_MgPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPd3
_chemical_formula_sum   'Mg6 Pd18'
_cell_volume   390.2
_cell_formula_units_Z   6
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  0.3  0.24  0.46  1.0
  Mg  Mg1  1  0.44  0.23  0.43  1.0
  Mg  Mg2  1  0.56  0.23  0.46  1.0
  Mg  Mg3  1  0.59  0.0  0.43  1.0
  Mg  Mg4  1  0.7  0.24  0.43  1.0
  Mg  Mg5  1  0.88  0.0  0.46  1.0
  Pd  Pd6  1  -0.0  0.31  0.65  1.0
  Pd  Pd7  1  -0.0  0.31  0.69  1.0
  Pd  Pd8  1  0.0  0.0  0.79  1.0
  Pd  Pd9  1  0.0  0.0  0.83  1.0
  Pd  Pd10  1  0.01  0.75  0.81  1.0
  Pd  Pd11  1  0.02  0.0  0.85  1.0
  Pd  Pd12  1  0.27  0.72  0.81  1.0
  Pd  Pd13  1  0.36  0.35  0.19  1.0
  Pd  Pd14  1  0.38  0.12  0.15  1.0
  Pd  Pd15  1  0.46  0.0  0.81  1.0
  Pd  Pd16  1  0.62  0.12  0.19  1.0
  Pd  Pd17  1  0.64  0.35  0.15  1.0
  Pd  Pd18  1  0.71  0.0  0.15  1.0
  Pd  Pd19  1  0.73  0.72  0.85  1.0
  Pd  Pd20  1  0.74  0.16  0.65  1.0
  Pd  Pd21  1  0.74  0.16  0.69  1.0
  Pd  Pd22  1  0.76  0.0  0.19  1.0
  Pd  Pd23  1  0.99  0.75  0.85  1.0

Mg Mg Mg Mg Mg Mg Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd