data_[In6Ga27Sn3]
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-3m]
_cell_length_a [5.7233]
_cell_length_b [5.7233]
_cell_length_c [27.7865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [In2Ga9Sn]
_chemical_formula_sum '[In6 Ga27 Sn3]'
_cell_volume [788.2450]
_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  6  0.0000  0.0000  0.1404  1.0
  Ga  Ga1  18  0.0075  0.5037  0.9164  1.0
  Ga  Ga2  6  0.0000  0.0000  0.3353  1.0
  Ga  Ga3  3  -0.0000  -0.0000  0.5000  1.0
  Sn  Sn4  3  0.0000  0.0000  0.0000  1.0
]