data_[Mg12Ge8Pd12]
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 [4.2255]
_cell_length_b [10.1414]
_cell_length_c [13.1429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mg3Ge2Pd3]
_chemical_formula_sum '[Mg12 Ge8 Pd12]'
_cell_volume [563.1998]
_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  0.0000  0.0507  0.6128  1.0
  Mg  Mg1  4  0.0000  0.3123  0.7500  1.0
  Ge  Ge2  8  0.0000  0.2454  0.1008  1.0
  Pd  Pd3  8  0.0000  0.3875  0.5577  1.0
  Pd  Pd4  4  0.0000  0.4049  0.2500  1.0
]