data_[In36Ga18Sn3]
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 [R-3]
_cell_length_a [12.6074]
_cell_length_b [12.6074]
_cell_length_c [11.9194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [In12Ga6Sn]
_chemical_formula_sum '[In36 Ga18 Sn3]'
_cell_volume [1640.7106]
_cell_formula_units_Z [3]
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  18  0.0422  0.8071  0.8950  1.0
  In  In1  18  0.0449  0.8194  0.4056  1.0
  Ga  Ga2  18  0.0508  0.8021  0.6564  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0000  1.0
]