data_[Li2Cu12Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3614]
_cell_length_b [5.4251]
_cell_length_c [9.0619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiCu6Sn]
_chemical_formula_sum '[Li2 Cu12 Sn2]'
_cell_volume [214.4129]
_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  0.9107  1.0
  Cu  Cu1  4  0.0000  0.2338  0.1672  1.0
  Cu  Cu2  4  0.5000  0.2453  0.3362  1.0
  Cu  Cu3  2  0.0000  0.0000  0.4078  1.0
  Cu  Cu4  2  0.5000  0.0000  0.0866  1.0
  Sn  Sn5  2  0.5000  0.0000  0.5885  1.0
]