data_[Li3Gd3Sn2Ge1]
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
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3332]
_cell_length_b [7.3332]
_cell_length_c [4.5036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Li3Gd3Sn2Ge]
_chemical_formula_sum '[Li3 Gd3 Sn2 Ge1]'
_cell_volume [209.7391]
_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  0.2252  0.5000  1
  Gd  Gd1  3  0.0000  0.5900  0.0000  1
  Sn  Sn2  2  0.3333  0.6667  0.5000  1
  Ge  Ge3  1  0.0000  0.0000  0.0000  1
]