data_[In9Ga1Sn2]
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 [Pmmm]
_cell_length_a [4.8250]
_cell_length_b [5.1331]
_cell_length_c [12.9520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [In9GaSn2]
_chemical_formula_sum '[In9 Ga1 Sn2]'
_cell_volume [320.7847]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.1607  1
  In  In1  2  0.5000  0.0000  0.1564  1
  In  In2  2  0.5000  0.5000  0.3317  1
  In  In3  1  0.0000  0.5000  0.5000  1
  In  In4  1  0.5000  0.0000  0.5000  1
  In  In5  1  0.5000  0.5000  0.0000  1
  Ga  Ga6  1  0.0000  0.0000  0.0000  1
  Sn  Sn7  2  0.0000  0.0000  0.3258  1
]