data_[Ba2Li2Bi2S6]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7209]
_cell_length_b [4.1623]
_cell_length_c [8.9816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiBiS3]
_chemical_formula_sum '[Ba2 Li2 Bi2 S6]'
_cell_volume [315.1899]
_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  0.1940  0.2500  0.2422  1.0
  Li  Li1  2  0.0875  0.2500  0.5921  1.0
  Bi  Bi2  2  0.3290  0.7500  0.8380  1.0
  S  S3  2  0.1127  0.2500  0.8683  1.0
  S  S4  2  0.1976  0.7500  0.5186  1.0
  S  S5  2  0.4456  0.7500  0.1690  1.0
]