data_[Ba3Tb12Y3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.2702]
_cell_length_b [8.2702]
_cell_length_c [20.2449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaTb4YS8]
_chemical_formula_sum '[Ba3 Tb12 Y3 S24]'
_cell_volume [1199.1712]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.3749  1
  Tb  Tb1  9  0.1690  0.3380  0.8327  1
  Tb  Tb2  3  0.0000  0.0000  0.6251  1
  Y  Y3  3  0.0000  0.0000  0.0017  1
  S  S4  9  0.0477  0.5239  0.7558  1
  S  S5  9  0.1765  0.3529  0.5812  1
  S  S6  3  0.0000  0.0000  0.2321  1
  S  S7  3  0.0000  0.0000  0.7572  1
]