data_[Na6Mg6In2S12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.7771]
_cell_length_b [8.9735]
_cell_length_c [15.2210]
_cell_angle_alpha [73.5122]
_cell_angle_beta [89.9732]
_cell_angle_gamma [60.9597]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3Mg3In(SO4)6]
_chemical_formula_sum '[Na6 Mg6 In2 S12 O48]'
_cell_volume [991.4306]
_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  1  0.0004  0.9977  0.9994  1
  Na  Na1  1  0.2610  0.4969  0.7611  1
  Na  Na2  1  0.4788  0.0082  0.5122  1
  Na  Na3  1  0.4983  0.7275  0.3769  1
  Na  Na4  1  0.7687  0.4925  0.2389  1
  Na  Na5  1  0.9466  0.7492  0.5526  1
  Mg  Mg6  1  0.0253  0.9562  0.6758  1
  Mg  Mg7  1  0.2804  0.4338  0.4267  1
  Mg  Mg8  1  0.4714  0.0614  0.8196  1
  Mg  Mg9  1  0.5279  0.9435  0.1751  1
  Mg  Mg10  1  0.7264  0.5428  0.5802  1
  Mg  Mg11  1  0.9693  0.0591  0.3240  1
  In  In12  1  0.2279  0.5496  0.0729  1
  In  In13  1  0.7745  0.4446  0.9248  1
  S  S14  1  0.1663  0.2637  0.6263  1
  S  S15  1  0.2288  0.2478  0.9758  1
  S  S16  1  0.2369  0.2302  0.2791  1
  S  S17  1  0.2711  0.7475  0.2286  1
  S  S18  1  0.2721  0.7518  0.5221  1
  S  S19  1  0.3264  0.7526  0.8711  1
  S  S20  1  0.6740  0.2492  0.1271  1
  S  S21  1  0.7254  0.2480  0.7736  1
  S  S22  1  0.7260  0.2475  0.4753  1
  S  S23  1  0.7701  0.7510  0.0231  1
  S  S24  1  0.7730  0.7563  0.7236  1
  S  S25  1  0.8338  0.7434  0.3731  1
  O  O26  1  0.0076  0.5793  0.3933  1
  O  O27  1  0.0579  0.2477  0.9732  1
  O  O28  1  0.0660  0.2361  0.2862  1
  O  O29  1  0.1368  0.1101  0.6487  1
  O  O30  1  0.1368  0.9095  0.2471  1
  O  O31  1  0.1571  0.9169  0.4436  1
  O  O32  1  0.1933  0.4276  0.9790  1
  O  O33  1  0.1977  0.7455  0.1400  1
  O  O34  1  0.1991  0.7628  0.6099  1
  O  O35  1  0.2021  0.3881  0.1971  1
  O  O36  1  0.2148  0.7651  0.7938  1
  O  O37  1  0.2352  0.7552  0.9551  1
  O  O38  1  0.2598  0.2624  0.5448  1
  O  O39  1  0.2744  0.2517  0.7058  1
  O  O40  1  0.2843  0.5927  0.5044  1
  O  O41  1  0.2982  0.2305  0.8891  1
  O  O42  1  0.3014  0.2454  0.3640  1
  O  O43  1  0.3192  0.5819  0.3062  1
  O  O44  1  0.3485  0.1008  0.0581  1
  O  O45  1  0.3612  0.9008  0.8492  1
  O  O46  1  0.3726  0.0589  0.2670  1
  O  O47  1  0.4377  0.7535  0.2162  1
  O  O48  1  0.4497  0.7357  0.5302  1
  O  O49  1  0.4930  0.5728  0.8933  1
  O  O50  1  0.5082  0.4296  0.1022  1
  O  O51  1  0.5535  0.2548  0.4687  1
  O  O52  1  0.5604  0.2455  0.7906  1
  O  O53  1  0.6367  0.9153  0.7427  1
  O  O54  1  0.6380  0.1013  0.1523  1
  O  O55  1  0.6520  0.9019  0.9420  1
  O  O56  1  0.6809  0.4162  0.6992  1
  O  O57  1  0.7001  0.7652  0.1106  1
  O  O58  1  0.7032  0.4112  0.4940  1
  O  O59  1  0.7048  0.7458  0.6367  1
  O  O60  1  0.7245  0.7542  0.2937  1
  O  O61  1  0.7373  0.7357  0.4551  1
  O  O62  1  0.7658  0.2407  0.0436  1
  O  O63  1  0.7853  0.2397  0.2032  1
  O  O64  1  0.7935  0.2460  0.3857  1
  O  O65  1  0.8037  0.5736  0.0174  1
  O  O66  1  0.8094  0.2436  0.8621  1
  O  O67  1  0.8275  0.5867  0.8021  1
  O  O68  1  0.8497  0.9052  0.3560  1
  O  O69  1  0.8510  0.0798  0.5510  1
  O  O70  1  0.8543  0.0868  0.7529  1
  O  O71  1  0.9376  0.7631  0.7080  1
  O  O72  1  0.9432  0.7472  0.0294  1
  O  O73  1  0.9949  0.4377  0.6041  1
]