data_[Mg8Ge4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5729]
_cell_length_b [15.3898]
_cell_length_c [4.7328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mg2GePd2]
_chemical_formula_sum '[Mg8 Ge4 Pd8]'
_cell_volume [333.0748]
_cell_formula_units_Z [4]
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  4  0.0000  0.0549  0.2500  1.0
  Mg  Mg1  4  0.0000  0.2502  0.2500  1.0
  Ge  Ge2  4  0.0000  0.4386  0.2500  1.0
  Pd  Pd3  4  0.0000  0.1396  0.7500  1.0
  Pd  Pd4  4  0.0000  0.3521  0.7500  1.0
]