data_[Sr4Li4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [11.0043]
_cell_length_b [4.7243]
_cell_length_c [5.8565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrLiSi]
_chemical_formula_sum '[Sr4 Li4 Si4]'
_cell_volume [296.7825]
_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
[
  Sr  Sr0  4  0.2012  0.0000  0.2249  1
  Li  Li1  2  0.0000  0.5000  0.0000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Si  Si3  4  0.0773  0.0000  0.6890  1
]