data_[Sc2Cd2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3883]
_cell_length_b [3.8060]
_cell_length_c [5.9753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScCdPd4]
_chemical_formula_sum '[Sc2 Cd2 Pd8]'
_cell_volume [200.7743]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.5000  1
  Cd  Cd1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  4  0.1633  0.5000  0.8254  1
  Pd  Pd3  4  0.1650  0.5000  0.3337  1
]