data_[Li2Cu28Si2]
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 [Amm2]
_cell_length_a [8.3483]
_cell_length_b [5.2125]
_cell_length_c [8.8001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiCu14Si]
_chemical_formula_sum '[Li2 Cu28 Si2]'
_cell_volume [382.9412]
_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  0.5000  0.0000  0.0444  1
  Cu  Cu1  8  0.2519  0.2495  0.1243  1
  Cu  Cu2  4  0.0000  0.2480  0.4559  1
  Cu  Cu3  4  0.2446  0.0000  0.8736  1
  Cu  Cu4  4  0.2540  0.0000  0.3759  1
  Cu  Cu5  4  0.5000  0.2495  0.7949  1
  Cu  Cu6  2  0.0000  0.0000  0.2056  1
  Cu  Cu7  2  0.0000  0.0000  0.7033  1
  Si  Si8  2  0.5000  0.0000  0.5491  1
]