data_[Mg6Cd2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3567]
_cell_length_b [4.2449]
_cell_length_c [9.1884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg3CdPd6]
_chemical_formula_sum '[Mg6 Cd2 Pd12]'
_cell_volume [323.0596]
_cell_formula_units_Z [2]
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  2  0.2447  0.2500  0.0226  1
  Mg  Mg1  2  0.3481  0.7500  0.8092  1
  Mg  Mg2  2  0.4487  0.2500  0.6028  1
  Cd  Cd3  2  0.0562  0.2500  0.3936  1
  Pd  Pd4  2  0.0582  0.7500  0.9054  1
  Pd  Pd5  2  0.1562  0.7500  0.2033  1
  Pd  Pd6  2  0.1605  0.2500  0.7141  1
  Pd  Pd7  2  0.2625  0.7500  0.5093  1
  Pd  Pd8  2  0.3692  0.2500  0.3080  1
  Pd  Pd9  2  0.4615  0.7500  0.1023  1
]