data_[Li2Ga12Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5909]
_cell_length_b [6.9752]
_cell_length_c [8.3629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiGa6Sn]
_chemical_formula_sum '[Li2 Ga12 Sn2]'
_cell_volume [318.1401]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  8  0.0851  0.3139  0.8427  1.0
  Ga  Ga2  4  0.0532  0.0000  0.6608  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
]