data_[Sc20Al4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.7758]
_cell_length_b [8.0017]
_cell_length_c [10.1307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc5AlGa]
_chemical_formula_sum '[Sc20 Al4 Ga4]'
_cell_volume [622.7506]
_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  0.1285  0.3698  0.5229  1
  Sc  Sc1  8  0.1961  0.2122  0.8427  1
  Sc  Sc2  4  0.0000  0.1223  0.2500  1
  Al  Al3  4  0.0000  0.4824  0.2500  1
  Ga  Ga4  4  0.0000  0.0000  0.0000  1
]