data_[Li6Sn14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.3512]
_cell_length_b [9.3512]
_cell_length_c [6.2996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Li3Sn7]
_chemical_formula_sum '[Li6 Sn14]'
_cell_volume [477.0693]
_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  6  0.2104  0.4207  0.1179  1.0
  Sn  Sn1  6  0.0447  0.5224  0.8095  1.0
  Sn  Sn2  6  0.1170  0.2341  0.6137  1.0
  Sn  Sn3  2  0.3333  0.6667  0.4687  1.0
]