data_[Sc20Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0836]
_cell_length_b [14.0037]
_cell_length_c [5.9436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc5Ga3]
_chemical_formula_sum '[Sc20 Ga12]'
_cell_volume [672.6235]
_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  0.1227  0.3808  0.2434  1
  Sc  Sc1  4  0.0000  0.1488  0.0000  1
  Sc  Sc2  4  0.0000  0.1827  0.5000  1
  Sc  Sc3  4  0.2327  0.5000  0.7396  1
  Ga  Ga4  8  0.2001  0.2984  0.7832  1
  Ga  Ga5  4  0.0949  0.0000  0.6966  1
]