data_[Li4Cu12Sn8]
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 [C2/m]
_cell_length_a [13.5734]
_cell_length_b [4.3457]
_cell_length_c [8.1392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCu3Sn2]
_chemical_formula_sum '[Li4 Cu12 Sn8]'
_cell_volume [416.3833]
_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  0.1301  0.0000  0.0164  1
  Cu  Cu1  4  0.0233  0.0000  0.3738  1
  Cu  Cu2  4  0.0984  0.5000  0.6223  1
  Cu  Cu3  4  0.2192  0.0000  0.3998  1
  Sn  Sn4  4  0.0533  0.5000  0.2225  1
  Sn  Sn5  4  0.2167  0.0000  0.7571  1
]