data_[In2Ga12Sn2]
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 [Amm2]
_cell_length_a [5.1337]
_cell_length_b [6.7624]
_cell_length_c [9.9796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [InGa6Sn]
_chemical_formula_sum '[In2 Ga12 Sn2]'
_cell_volume [346.4559]
_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  2  0.5000  0.0000  0.3816  1.0
  Ga  Ga1  4  0.0000  0.2167  0.8504  1.0
  Ga  Ga2  4  0.5000  0.2196  0.6491  1.0
  Ga  Ga3  2  0.0000  0.0000  0.5868  1.0
  Ga  Ga4  2  0.5000  0.0000  0.9130  1.0
  Sn  Sn5  2  0.0000  0.0000  0.1194  1.0
]