data_[Sc16Al4Ga2]
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 [Immm]
_cell_length_a [4.6696]
_cell_length_b [7.6222]
_cell_length_c [13.5247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc8Al2Ga]
_chemical_formula_sum '[Sc16 Al4 Ga2]'
_cell_volume [481.3768]
_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  8  0.0000  0.2164  0.3427  1
  Sc  Sc1  4  0.0000  0.0000  0.1436  1
  Sc  Sc2  4  0.0000  0.3095  0.0000  1
  Al  Al3  4  0.0000  0.5000  0.1934  1
  Ga  Ga4  2  0.0000  0.5000  0.5000  1
]