data_[Sc20Cd4Ga8]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2120]
_cell_length_b [10.4876]
_cell_length_c [15.7423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc5CdGa2]
_chemical_formula_sum '[Sc20 Cd4 Ga8]'
_cell_volume [695.4052]
_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
[
  Sc  Sc0  8  0.0000  0.0430  0.0975  1
  Sc  Sc1  8  0.0000  0.3436  0.0402  1
  Sc  Sc2  4  0.0000  0.4590  0.2500  1
  Cd  Cd3  4  0.0000  0.1812  0.2500  1
  Ga  Ga4  8  0.0000  0.2334  0.6469  1
]