data_[Cs3Tb12Pr3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3408]
_cell_length_b [8.3408]
_cell_length_c [21.0897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CsTb4PrS8]
_chemical_formula_sum '[Cs3 Tb12 Pr3 S24]'
_cell_volume [1270.6214]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.6318  1
  Tb  Tb1  9  0.0104  0.5052  0.5017  1
  Tb  Tb2  3  0.0000  0.0000  0.3743  1
  Pr  Pr3  3  0.0000  0.0000  0.9946  1
  S  S4  9  0.0144  0.5072  0.7532  1
  S  S5  9  0.1915  0.3830  0.5723  1
  S  S6  3  0.0000  0.0000  0.2436  1
  S  S7  3  0.0000  0.0000  0.7740  1
]