data_[Na36Zn12Ga12Si12S24O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.4877]
_cell_length_b [8.9537]
_cell_length_c [22.1061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na3ZnGaSi(SO6)2]
_chemical_formula_sum '[Na36 Zn12 Ga12 Si12 S24 O144]'
_cell_volume [3065.4943]
_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
[
  Na  Na0  4  0.0028  0.0127  0.5024  1
  Na  Na1  4  0.0242  0.3152  0.4192  1
  Na  Na2  4  0.1604  0.1397  0.5772  1
  Na  Na3  4  0.1692  0.4989  0.8350  1
  Na  Na4  4  0.1819  0.1847  0.2587  1
  Na  Na5  4  0.3279  0.3592  0.4143  1
  Na  Na6  4  0.3407  0.0053  0.6687  1
  Na  Na7  4  0.4839  0.1805  0.5912  1
  Na  Na8  4  0.4967  0.1295  0.2481  1
  Zn  Zn9  4  0.1627  0.4796  0.4845  1
  Zn  Zn10  4  0.3349  0.0105  0.8174  1
  Zn  Zn11  4  0.4935  0.4996  0.1508  1
  Ga  Ga12  4  0.0158  0.0136  0.3499  1
  Ga  Ga13  4  0.1523  0.4925  0.1808  1
  Ga  Ga14  4  0.3321  0.0150  0.0154  1
  Si  Si15  4  0.0115  0.3469  0.5810  1
  Si  Si16  4  0.1899  0.1389  0.4159  1
  Si  Si17  4  0.4984  0.2045  0.7474  1
  S  S18  4  0.1470  0.1519  0.7480  1
  S  S19  4  0.1712  0.2111  0.0826  1
  S  S20  4  0.3104  0.3566  0.5838  1
  S  S21  4  0.3334  0.2989  0.9163  1
  S  S22  4  0.3517  0.3603  0.2512  1
  S  S23  4  0.4822  0.1559  0.4156  1
  O  O24  4  0.0077  0.1668  0.5905  1
  O  O25  4  0.0197  0.1917  0.3083  1
  O  O26  4  0.0547  0.4344  0.6411  1
  O  O27  4  0.0699  0.4054  0.9225  1
  O  O28  4  0.0704  0.3689  0.5214  1
  O  O29  4  0.0880  0.1304  0.8020  1
  O  O30  4  0.0905  0.0652  0.4142  1
  O  O31  4  0.0914  0.3992  0.2456  1
  O  O32  4  0.0928  0.1154  0.0852  1
  O  O33  4  0.1082  0.0880  0.6930  1
  O  O34  4  0.1552  0.3182  0.7444  1
  O  O35  4  0.1621  0.3099  0.0304  1
  O  O36  4  0.1783  0.3228  0.4183  1
  O  O37  4  0.1828  0.2976  0.1406  1
  O  O38  4  0.2312  0.0794  0.7557  1
  O  O39  4  0.2366  0.0718  0.4786  1
  O  O40  4  0.2473  0.1128  0.3559  1
  O  O41  4  0.2482  0.1103  0.0804  1
  O  O42  4  0.2536  0.3938  0.6365  1
  O  O43  4  0.2569  0.3939  0.9245  1
  O  O44  4  0.2650  0.4321  0.2457  1
  O  O45  4  0.2747  0.4139  0.5265  1
  O  O46  4  0.3152  0.1885  0.5835  1
  O  O47  4  0.3226  0.2105  0.8615  1
  O  O48  4  0.3394  0.1950  0.2542  1
  O  O49  4  0.3528  0.2023  0.9704  1
  O  O50  4  0.3930  0.4186  0.3080  1
  O  O51  4  0.3991  0.4149  0.5878  1
  O  O52  4  0.4072  0.3831  0.1984  1
  O  O53  4  0.4123  0.3984  0.9129  1
  O  O54  4  0.4181  0.0583  0.0739  1
  O  O55  4  0.4184  0.0873  0.7552  1
  O  O56  4  0.4272  0.1286  0.4705  1
  O  O57  4  0.4447  0.0844  0.3614  1
  O  O58  4  0.4833  0.3232  0.4094  1
  O  O59  4  0.4896  0.3006  0.6862  1
]