data_[Cd2As2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5441]
_cell_length_b [5.6223]
_cell_length_c [6.7858]
_cell_angle_alpha [78.6714]
_cell_angle_beta [66.0253]
_cell_angle_gamma [61.1916]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdAsPd3]
_chemical_formula_sum '[Cd2 As2 Pd6]'
_cell_volume [169.3480]
_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
[
  Cd  Cd0  1  0.4585  0.7868  0.1387  1.0
  Cd  Cd1  1  0.9127  0.5056  0.7074  1.0
  As  As2  1  0.0884  0.8222  0.8855  1.0
  As  As3  1  0.4622  0.2129  0.3407  1.0
  Pd  Pd4  1  0.4441  0.0105  0.7050  1.0
  Pd  Pd5  1  0.4518  0.3387  0.9735  1.0
  Pd  Pd6  1  0.4905  0.5208  0.5407  1.0
  Pd  Pd7  1  0.8996  0.7324  0.2866  1.0
  Pd  Pd8  1  0.9376  0.2441  0.1163  1.0
  Pd  Pd9  1  0.9983  0.0323  0.5448  1.0
]