data_[Ga1Sn1]
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 [P1]
_cell_length_a [3.1459]
_cell_length_b [3.7870]
_cell_length_c [4.5215]
_cell_angle_alpha [82.9654]
_cell_angle_beta [70.0015]
_cell_angle_gamma [74.6230]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaSn]
_chemical_formula_sum '[Ga1 Sn1]'
_cell_volume [48.7757]
_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
[
  Ga  Ga0  1  0.7936  0.0050  0.8298  1.0
  Sn  Sn1  1  0.1059  0.5103  0.3031  1.0
]