data_[Li8Cu4Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0137]
_cell_length_b [4.1520]
_cell_length_c [8.0673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2CuSi2]
_chemical_formula_sum '[Li8 Cu4 Si8]'
_cell_volume [289.8121]
_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  0.0535  0.5000  0.3568  1.0
  Li  Li1  4  0.1683  0.5000  0.0700  1.0
  Si  Si2  4  0.0040  0.0000  0.8551  1.0
  Si  Si3  4  0.1260  0.0000  0.6068  1.0
  Cu  Cu4  4  0.2420  0.0000  0.3446  1.0
]