data_[Ba4Ge4Pd12]
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 [P2_1/c]
_cell_length_a [7.1214]
_cell_length_b [6.9580]
_cell_length_c [11.0700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaGePd3]
_chemical_formula_sum '[Ba4 Ge4 Pd12]'
_cell_volume [433.9012]
_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  0.1995  0.0595  0.4126  1.0
  Ge  Ge1  4  0.3841  0.0664  0.7882  1.0
  Pd  Pd2  4  0.1723  0.1474  0.1144  1.0
  Pd  Pd3  4  0.2680  0.5834  0.4396  1.0
  Pd  Pd4  4  0.2904  0.7398  0.6890  1.0
]