data_[Mg2Ge4Pd12]
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/m]
_cell_length_a [8.6319]
_cell_length_b [4.4281]
_cell_length_c [8.0668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(GePd3)2]
_chemical_formula_sum '[Mg2 Ge4 Pd12]'
_cell_volume [282.0875]
_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  0.0000  0.0000  0.5000  1.0
  Ge  Ge1  4  0.1645  0.5000  0.7681  1.0
  Pd  Pd2  4  0.0292  0.0000  0.1861  1.0
  Pd  Pd3  4  0.1452  0.5000  0.4339  1.0
  Pd  Pd4  4  0.1803  0.5000  0.0829  1.0
]