data_[Sc16Ga4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1106]
_cell_length_b [12.7878]
_cell_length_c [5.1815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Ga2Sb]
_chemical_formula_sum '[Sc16 Ga4 Sb2]'
_cell_volume [506.6741]
_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  0.2076  0.1208  0.1109  1
  Sc  Sc1  4  0.0000  0.2334  0.5000  1
  Sc  Sc2  4  0.0970  0.5000  0.2968  1
  Ga  Ga3  4  0.0000  0.3049  0.0000  1
  Sb  Sb4  2  0.0000  0.0000  0.5000  1
]