data_[Ba2Li2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.5006]
_cell_length_b [5.5044]
_cell_length_c [8.9158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [BaLiSi]
_chemical_formula_sum '[Ba2 Li2 Si2]'
_cell_volume [171.7927]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.4143  1
  Li  Li1  2  0.0000  0.0000  0.9422  1
  Si  Si2  2  0.0000  0.0000  0.2329  1
]