data_[Hf12Ga12P12S24O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  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 [15.0423]
_cell_length_b [8.7203]
_cell_length_c [22.5109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [HfGaP(SO6)2]
_chemical_formula_sum '[Hf12 Ga12 P12 S24 O144]'
_cell_volume [2952.6893]
_cell_formula_units_Z [12]
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
[
  Hf  Hf0  4  0.1693  0.4903  0.6905  1
  Hf  Hf1  4  0.3338  0.0009  0.0238  1
  Hf  Hf2  4  0.4995  0.4984  0.3572  1
  Ga  Ga3  4  0.0006  0.0010  0.1467  1
  Ga  Ga4  4  0.1773  0.4955  0.9800  1
  Ga  Ga5  4  0.3274  0.0147  0.8128  1
  P  P6  4  0.1443  0.1327  0.7488  1
  P  P7  4  0.3158  0.3637  0.5833  1
  P  P8  4  0.3286  0.2878  0.9162  1
  S  S9  4  0.0259  0.3497  0.5820  1
  S  S10  4  0.1618  0.2123  0.0832  1
  S  S11  4  0.1913  0.1527  0.4161  1
  S  S12  4  0.3577  0.3449  0.2499  1
  S  S13  4  0.4800  0.1353  0.4161  1
  S  S14  4  0.4963  0.2098  0.7495  1
  O  O15  4  0.0133  0.1930  0.3028  1
  O  O16  4  0.0147  0.1847  0.5911  1
  O  O17  4  0.0643  0.4253  0.6357  1
  O  O18  4  0.0679  0.4319  0.9265  1
  O  O19  4  0.0773  0.3847  0.2414  1
  O  O20  4  0.0795  0.3792  0.5290  1
  O  O21  4  0.0844  0.1125  0.0912  1
  O  O22  4  0.0856  0.1099  0.8040  1
  O  O23  4  0.0997  0.0639  0.6931  1
  O  O24  4  0.1026  0.0790  0.4087  1
  O  O25  4  0.1467  0.3067  0.0296  1
  O  O26  4  0.1533  0.3091  0.7410  1
  O  O27  4  0.1785  0.3175  0.4254  1
  O  O28  4  0.1792  0.3079  0.1363  1
  O  O29  4  0.2308  0.0777  0.4693  1
  O  O30  4  0.2365  0.0629  0.7577  1
  O  O31  4  0.2426  0.1149  0.0755  1
  O  O32  4  0.2461  0.1280  0.3632  1
  O  O33  4  0.2468  0.3887  0.9250  1
  O  O34  4  0.2547  0.3868  0.6378  1
  O  O35  4  0.2681  0.4156  0.2424  1
  O  O36  4  0.2720  0.4351  0.5281  1
  O  O37  4  0.3144  0.1877  0.8609  1
  O  O38  4  0.3239  0.1887  0.5735  1
  O  O39  4  0.3468  0.1861  0.9713  1
  O  O40  4  0.3483  0.1800  0.2604  1
  O  O41  4  0.3964  0.4235  0.3029  1
  O  O42  4  0.4072  0.4342  0.5953  1
  O  O43  4  0.4112  0.3728  0.1968  1
  O  O44  4  0.4118  0.3893  0.9069  1
  O  O45  4  0.4196  0.1089  0.7586  1
  O  O46  4  0.4225  0.1156  0.4692  1
  O  O47  4  0.4364  0.0781  0.0755  1
  O  O48  4  0.4381  0.0700  0.3625  1
  O  O49  4  0.4802  0.3049  0.6964  1
  O  O50  4  0.4885  0.3053  0.4090  1
]