data_[Li6Si6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.6515]
_cell_length_b [13.8793]
_cell_length_c [4.7606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiSi]
_chemical_formula_sum '[Li6 Si6]'
_cell_volume [175.1967]
_cell_formula_units_Z [6]
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  0.5000  0.1820  0.1686  1.0
  Li  Li1  2  0.5000  0.0000  0.9147  1.0
  Si  Si2  4  0.0000  0.1476  0.6734  1.0
  Si  Si3  2  0.0000  0.0000  0.3994  1.0
]