data_[Li3Y12Bi3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0392]
_cell_length_b [8.0392]
_cell_length_c [19.9098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiY4BiS8]
_chemical_formula_sum '[Li3 Y12 Bi3 S24]'
_cell_volume [1114.3609]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3706  1
  Y  Y1  9  0.1715  0.3430  0.8327  1
  Y  Y2  3  0.0000  0.0000  0.6257  1
  Bi  Bi3  3  0.0000  0.0000  0.0086  1
  S  S4  9  0.0131  0.5065  0.7543  1
  S  S5  9  0.1748  0.3496  0.5777  1
  S  S6  3  0.0000  0.0000  0.2420  1
  S  S7  3  0.0000  0.0000  0.7587  1
]