data_[Ga8Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.2481]
_cell_length_b [7.8654]
_cell_length_c [8.6353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [GaSn]
_chemical_formula_sum '[Ga8 Sn8]'
_cell_volume [424.3757]
_cell_formula_units_Z [8]
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
[
  Ga  Ga0  4  0.0140  0.0859  0.3595  1.0
  Ga  Ga1  4  0.1246  0.5763  0.5938  1.0
  Sn  Sn2  4  0.0596  0.3866  0.8582  1.0
  Sn  Sn3  4  0.1459  0.9085  0.1023  1.0
]