data_[Na6Tb4Pr2S12]
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 [C2/m]
_cell_length_a [7.0377]
_cell_length_b [12.1901]
_cell_length_c [7.0978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Tb2PrS6]
_chemical_formula_sum '[Na6 Tb4 Pr2 S12]'
_cell_volume [574.6566]
_cell_formula_units_Z [2]
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  4  0.0000  0.1665  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  4  0.0000  0.3332  0.0000  1.0
  Pr  Pr3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2477  0.1712  0.2293  1.0
  S  S5  4  0.2344  0.5000  0.2305  1.0
]