data_[Na4Tb2Hf4S12]
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
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4744]
_cell_length_b [11.3236]
_cell_length_c [7.1598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2259]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tb(HfS3)2]
_chemical_formula_sum '[Na4 Tb2 Hf4 S12]'
_cell_volume [501.3704]
_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  0.1624  0.0000  1
  Tb  Tb1  2  0.0000  0.0000  0.5000  1
  Hf  Hf2  4  0.0000  0.3337  0.5000  1
  S  S3  8  0.2455  0.1766  0.7178  1
  S  S4  4  0.2180  0.5000  0.7188  1
]