data_[Mg16Ge4Pd4]
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 [C2/c]
_cell_length_a [8.2776]
_cell_length_b [12.2323]
_cell_length_c [5.6034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg4GePd]
_chemical_formula_sum '[Mg16 Ge4 Pd4]'
_cell_volume [497.6379]
_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  8  0.1153  0.1775  0.0774  1
  Mg  Mg1  8  0.2010  0.4341  0.2916  1
  Ge  Ge2  4  0.0000  0.3659  0.7500  1
  Pd  Pd3  4  0.0000  0.0061  0.2500  1
]