data_[Ba4Zn2Ga2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  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 [12.4938]
_cell_length_b [5.7072]
_cell_length_c [8.4886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.9136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2ZnGaPd6]
_chemical_formula_sum '[Ba4 Zn2 Ga2 Pd12]'
_cell_volume [450.4194]
_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  0.2457  0.5000  0.2005  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd3  8  0.0162  0.2477  0.2713  1.0
  Pd  Pd4  4  0.2500  0.0000  0.3954  1.0
]