data_[Na3Tb12Pr3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [8.1503]
_cell_length_b [8.1503]
_cell_length_c [20.3098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaTb4PrS8]
_chemical_formula_sum '[Na3 Tb12 Pr3 S24]'
_cell_volume [1168.3708]
_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
[
  Na  Na0  3  0.0000  0.0000  0.6265  1.0
  Tb  Tb1  9  0.0117  0.5058  0.5014  1.0
  Tb  Tb2  3  0.0000  0.0000  0.3741  1.0
  Pr  Pr3  3  0.0000  0.0000  0.9962  1.0
  S  S4  9  0.0155  0.5077  0.7552  1.0
  S  S5  9  0.1791  0.3582  0.5765  1.0
  S  S6  3  0.0000  0.0000  0.2420  1.0
  S  S7  3  0.0000  0.0000  0.7618  1.0
]