data_[Ba4Ga2Si2Pd12]
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
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0543]
_cell_length_b [5.9351]
_cell_length_c [7.8928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2GaSiPd6]
_chemical_formula_sum '[Ba4 Ga2 Si2 Pd12]'
_cell_volume [443.4085]
_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  0.2358  0.5000  0.1824  1.0
  Ga  Ga1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd3  8  0.0317  0.2384  0.3017  1.0
  Pd  Pd4  4  0.2486  0.5000  0.6380  1.0
]