data_[Na4Dy4Hf2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Dy  1.2200  1.7500  1.1310
  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 [6.7680]
_cell_length_b [11.5857]
_cell_length_c [7.1274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Dy2HfS6]
_chemical_formula_sum '[Na4 Dy4 Hf2 S12]'
_cell_volume [530.4390]
_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  0.1690  0.0000  1.0
  Dy  Dy1  4  0.0000  0.3339  0.5000  1.0
  Hf  Hf2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2296  0.1587  0.7178  1.0
  S  S4  4  0.2388  0.0000  0.2835  1.0
]