data_[In24Ga12Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.8624]
_cell_length_b [16.0161]
_cell_length_c [6.7108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In6Ga3Sn]
_chemical_formula_sum '[In24 Ga12 Sn4]'
_cell_volume [1060.0207]
_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
[
  In  In0  8  0.1996  0.4735  0.1396  1.0
  In  In1  8  0.2192  0.2992  0.7675  1.0
  In  In2  4  0.0000  0.0336  0.2662  1.0
  In  In3  4  0.0000  0.2929  0.1639  1.0
  Ga  Ga4  8  0.1473  0.1251  0.9254  1.0
  Ga  Ga5  4  0.0000  0.4198  0.8379  1.0
  Sn  Sn6  4  0.0000  0.1844  0.5522  1.0
]