data_[La8Ag4Bi4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1738]
_cell_length_b [17.5958]
_cell_length_c [11.9199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2AgBiS5]
_chemical_formula_sum '[La8 Ag4 Bi4 S20]'
_cell_volume [875.4206]
_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
[
  La  La0  4  0.0000  0.1219  0.2989  1.0
  La  La1  4  0.0000  0.1277  0.6774  1.0
  Ag  Ag2  4  0.0000  0.2347  0.0438  1.0
  Bi  Bi3  4  0.0000  0.4143  0.4747  1.0
  S  S4  4  0.0000  0.0277  0.0863  1.0
  S  S5  4  0.0000  0.2979  0.3172  1.0
  S  S6  4  0.0000  0.3047  0.6582  1.0
  S  S7  4  0.0000  0.3687  0.9877  1.0
  S  S8  4  0.0000  0.4904  0.2796  1.0
]