data_[In6Ga2Sn2]
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 [P2_1/m]
_cell_length_a [5.4439]
_cell_length_b [6.4036]
_cell_length_c [7.8292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In3GaSn]
_chemical_formula_sum '[In6 Ga2 Sn2]'
_cell_volume [261.6326]
_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
[
  In  In0  4  0.3952  0.0019  0.2871  1.0
  In  In1  2  0.1961  0.7500  0.9055  1.0
  Ga  Ga2  2  0.2127  0.2500  0.9040  1.0
  Sn  Sn3  2  0.0052  0.2500  0.5128  1.0
]