data_[Ga8Ge4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [13.6329]
_cell_length_b [5.3041]
_cell_length_c [5.1586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga2GePd3]
_chemical_formula_sum '[Ga8 Ge4 Pd12]'
_cell_volume [370.5328]
_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
[
  Ga  Ga0  8  0.1678  0.3881  0.5639  1
  Ge  Ge1  4  0.0000  0.1307  0.7500  1
  Pd  Pd2  8  0.1704  0.1137  0.1038  1
  Pd  Pd3  4  0.0000  0.3730  0.2500  1
]