data_[Li6Ce2Bi4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9366]
_cell_length_b [12.0736]
_cell_length_c [6.6850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ce(BiS3)2]
_chemical_formula_sum '[Li6 Ce2 Bi4 S12]'
_cell_volume [526.9386]
_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  4  0.0000  0.1842  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3350  0.0000  1.0
  S  S4  8  0.2472  0.3328  0.7389  1.0
  S  S5  4  0.2476  0.5000  0.2597  1.0
]