data_[Sc20In8Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.2047]
_cell_length_b [7.3034]
_cell_length_c [7.2326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sc5(InGa)2]
_chemical_formula_sum '[Sc20 In8 Ga8]'
_cell_volume [803.1476]
_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  16  0.1255  0.1845  0.3188  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  In  In2  8  0.2228  0.0000  0.0000  1
  Ga  Ga3  8  0.0000  0.1218  0.6232  1
]