data_[Cd4Ga4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [7.9450]
_cell_length_b [4.1120]
_cell_length_c [7.2363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdGaPd]
_chemical_formula_sum '[Cd4 Ga4 Pd4]'
_cell_volume [224.6506]
_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
[
  Cd  Cd0  2  0.0204  0.0000  0.7459  1.0
  Cd  Cd1  2  0.3977  0.0000  0.9793  1.0
  Ga  Ga2  2  0.0884  0.5000  0.4602  1.0
  Ga  Ga3  2  0.1552  0.0000  0.1787  1.0
  Pd  Pd4  2  0.2889  0.0000  0.5567  1.0
  Pd  Pd5  2  0.3818  0.5000  0.3021  1.0
]