data_[Ba4Cd4Ga4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.3128]
_cell_length_b [13.0396]
_cell_length_c [6.0952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCdGaPd3]
_chemical_formula_sum '[Ba4 Cd4 Ga4 Pd12]'
_cell_volume [581.2088]
_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  0.0000  0.2782  0.7500  1
  Cd  Cd1  4  0.0000  0.0045  0.7500  1
  Ga  Ga2  4  0.0000  0.3898  0.2500  1
  Pd  Pd3  8  0.1930  0.5000  0.0000  1
  Pd  Pd4  4  0.0000  0.2032  0.2500  1
]