data_[Na6Sr3Hf9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.6761]
_cell_length_b [7.6761]
_cell_length_c [20.9241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Na2SrHf3S8]
_chemical_formula_sum '[Na6 Sr3 Hf9 S24]'
_cell_volume [1067.7193]
_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  0.1268  1.0
  Na  Na1  3  0.0000  0.0000  0.4978  1.0
  Sr  Sr2  3  0.0000  0.0000  0.8719  1.0
  Hf  Hf3  9  0.0065  0.5033  0.0009  1.0
  S  S4  9  0.0370  0.5185  0.2664  1.0
  S  S5  9  0.1788  0.3576  0.0658  1.0
  S  S6  3  0.0000  0.0000  0.2637  1.0
  S  S7  3  0.0000  0.0000  0.7333  1.0
]