data_[In8Ga8Sn4]
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 [C2/m]
_cell_length_a [11.3943]
_cell_length_b [4.9714]
_cell_length_c [10.3428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2Ga2Sn]
_chemical_formula_sum '[In8 Ga8 Sn4]'
_cell_volume [493.0360]
_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  4  0.0499  0.0000  0.8727  1
  In  In1  4  0.1615  0.5000  0.6907  1
  Ga  Ga2  4  0.0935  0.0000  0.4637  1
  Ga  Ga3  4  0.1267  0.5000  0.3638  1
  Sn  Sn4  4  0.1629  0.5000  0.1068  1
]