data_[Li3Gd3Si1Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Gd  1.2000  1.8000  1.0750
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3197]
_cell_length_b [7.3197]
_cell_length_c [4.4875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Li3Gd3SiSn2]
_chemical_formula_sum '[Li3 Gd3 Si1 Sn2]'
_cell_volume [208.2202]
_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
[
  Li  Li0  3  0.0000  0.7760  0.5000  1
  Gd  Gd1  3  0.0000  0.4062  0.0000  1
  Si  Si2  1  0.0000  0.0000  0.0000  1
  Sn  Sn3  2  0.3333  0.6667  0.5000  1
]