data_[Na4Y4Hf4P8S4O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.6018]
_cell_length_b [9.0021]
_cell_length_c [9.3910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaYHfP2SO12]
_chemical_formula_sum '[Na4 Y4 Hf4 P8 S4 O48]'
_cell_volume [1102.0013]
_cell_formula_units_Z [4]
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  0.2554  0.2661  0.4977  1
  Y  Y1  4  0.1016  0.2585  0.0609  1
  Hf  Hf2  4  0.3967  0.2496  0.9445  1
  P  P3  4  0.3568  0.4044  0.2520  1
  P  P4  4  0.4934  0.0448  0.7495  1
  S  S5  4  0.1484  0.1110  0.7490  1
  O  O6  4  0.0536  0.1748  0.5952  1
  O  O7  4  0.0606  0.4517  0.9081  1
  O  O8  4  0.0645  0.3476  0.2357  1
  O  O9  4  0.1494  0.1359  0.9035  1
  O  O10  4  0.1569  0.0488  0.2303  1
  O  O11  4  0.2381  0.1881  0.7627  1
  O  O12  4  0.2621  0.3359  0.2365  1
  O  O13  4  0.3542  0.4219  0.7673  1
  O  O14  4  0.3594  0.3677  0.0897  1
  O  O15  4  0.4145  0.1365  0.7674  1
  O  O16  4  0.4318  0.0598  0.0892  1
  O  O17  4  0.4525  0.3446  0.4107  1
]