data_[Ba8Ga8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5722]
_cell_length_b [4.4375]
_cell_length_c [12.0612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ga2Pd]
_chemical_formula_sum '[Ba8 Ga8 Pd4]'
_cell_volume [603.7579]
_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
[
  Ba  Ba0  4  0.0099  0.0000  0.6596  1.0
  Ba  Ba1  4  0.1878  0.0000  0.1130  1.0
  Ga  Ga2  4  0.0091  0.5000  0.8780  1.0
  Ga  Ga3  4  0.2006  0.5000  0.5568  1.0
  Pd  Pd4  4  0.1979  0.5000  0.3352  1.0
]