data_[Li2Be4Si2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1809]
_cell_length_b [7.1698]
_cell_length_c [6.0413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiBe2SiS4]
_chemical_formula_sum '[Li2 Be4 Si2 S8]'
_cell_volume [270.7012]
_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  0.0183  0.0000  0.0022  1
  Be  Be1  4  0.4953  0.2529  0.5017  1
  Si  Si2  2  0.0074  0.5000  0.9766  1
  S  S3  4  0.3422  0.2446  0.7275  1
  S  S4  2  0.3994  0.0000  0.2654  1
  S  S5  2  0.3996  0.5000  0.2967  1
]