data_[Ba6Ge8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [12.7408]
_cell_length_b [4.2725]
_cell_length_c [9.2307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(Ge2Pd)2]
_chemical_formula_sum '[Ba6 Ge8 Pd4]'
_cell_volume [499.9071]
_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
[
  Ba  Ba0  4  0.1720  0.5000  0.6638  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.0483  0.0000  0.3853  1
  Ge  Ge3  4  0.2239  0.5000  0.0670  1
  Pd  Pd4  4  0.1068  0.5000  0.2774  1
]