data_[Na4Li4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8827]
_cell_length_b [3.2907]
_cell_length_c [7.2406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLiSi]
_chemical_formula_sum '[Na4 Li4 Si4]'
_cell_volume [220.5556]
_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
[
  Na  Na0  4  0.1510  0.5000  0.0835  1
  Li  Li1  4  0.1754  0.5000  0.5817  1
  Si  Si2  4  0.0013  0.0000  0.3242  1
]