data_[Li12Ga4Sn12]
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 [8.4274]
_cell_length_b [13.0289]
_cell_length_c [6.6941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3GaSn3]
_chemical_formula_sum '[Li12 Ga4 Sn12]'
_cell_volume [638.1659]
_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
[
  Li  Li0  4  0.0000  0.1288  0.5000  1.0
  Li  Li1  4  0.0000  0.3123  0.0000  1.0
  Li  Li2  4  0.0887  0.5000  0.3619  1.0
  Ga  Ga3  4  0.1070  0.0000  0.2397  1.0
  Sn  Sn4  8  0.1913  0.3258  0.7088  1.0
  Sn  Sn5  4  0.2375  0.5000  0.0635  1.0
]