data_[Tb3In12Pb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9646]
_cell_length_b [7.9646]
_cell_length_c [20.2729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbIn4PbS8]
_chemical_formula_sum '[Tb3 In12 Pb3 S24]'
_cell_volume [1113.7172]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.9995  1.0
  In  In1  9  0.0011  0.5005  0.5001  1.0
  In  In2  3  0.0000  0.0000  0.3727  1.0
  Pb  Pb3  3  0.0000  0.0000  0.6283  1.0
  S  S4  9  0.0211  0.5105  0.7557  1.0
  S  S5  9  0.1839  0.3678  0.5756  1.0
  S  S6  3  0.0000  0.0000  0.2357  1.0
  S  S7  3  0.0000  0.0000  0.7695  1.0
]