data_[In20Ga4Sn4]
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 [Imma]
_cell_length_a [5.3309]
_cell_length_b [10.5282]
_cell_length_c [13.3315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [In5GaSn]
_chemical_formula_sum '[In20 Ga4 Sn4]'
_cell_volume [748.2274]
_cell_formula_units_Z [4]
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  8  0.0000  0.0625  0.3332  1
  In  In1  8  0.0000  0.0758  0.9035  1
  In  In2  4  0.0000  0.2500  0.5340  1
  Ga  Ga3  4  0.2500  0.2500  0.7500  1
  Sn  Sn4  4  0.0000  0.2500  0.1326  1
]