data_[Sr9Tb9Sc3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9593]
_cell_length_b [7.9593]
_cell_length_c [20.5782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr3Tb3ScS8]
_chemical_formula_sum '[Sr9 Tb9 Sc3 S24]'
_cell_volume [1128.9842]
_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
[
  Sr  Sr0  9  0.0000  0.5000  0.0000  1.0
  Tb  Tb1  9  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  3  -0.0000  -0.0000  0.5000  1.0
  S  S3  18  0.0131  0.5065  0.2392  1.0
  S  S4  6  0.0000  0.0000  0.2436  1.0
]