data_[La24Bi4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2755]
_cell_length_b [13.7343]
_cell_length_c [21.3420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La6BiS4]
_chemical_formula_sum '[La24 Bi4 S16]'
_cell_volume [1253.2268]
_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  8  0.0000  0.0384  0.1553  1
  La  La1  8  0.0000  0.2297  0.5845  1
  La  La2  4  0.0000  0.3415  0.2500  1
  La  La3  4  0.0000  0.5000  0.0000  1
  Bi  Bi4  4  0.0000  0.3425  0.7500  1
  S  S5  8  0.0000  0.1385  0.0382  1
  S  S6  8  0.0000  0.4040  0.1218  1
]