data_[Na3Mg4In1Si8O22F2]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3514]
_cell_length_b [9.9409]
_cell_length_c [10.4390]
_cell_angle_alpha [61.5711]
_cell_angle_beta [83.6159]
_cell_angle_gamma [76.5022]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3Mg4InSi8(O11F)2]
_chemical_formula_sum '[Na3 Mg4 In1 Si8 O22 F2]'
_cell_volume [474.8777]
_cell_formula_units_Z [1]
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  0.0739  0.4708  0.9989  1
  Na  Na1  1  0.4999  0.7228  0.5553  1
  Na  Na2  1  0.5000  0.2739  0.4530  1
  Mg  Mg3  1  0.5004  0.9136  0.1718  1
  Mg  Mg4  1  0.5005  0.0897  0.8194  1
  Mg  Mg5  1  0.9997  0.1832  0.6333  1
  Mg  Mg6  1  1.0000  0.0024  0.9942  1
  In  In7  1  0.9997  0.8179  0.3639  1
  Si  Si8  1  0.2037  0.1214  0.3389  1
  Si  Si9  1  0.2043  0.4521  0.6656  1
  Si  Si10  1  0.2917  0.8024  0.8320  1
  Si  Si11  1  0.2926  0.6329  0.1663  1
  Si  Si12  1  0.7080  0.2009  0.1663  1
  Si  Si13  1  0.7089  0.3656  0.8321  1
  Si  Si14  1  0.7961  0.8812  0.6665  1
  Si  Si15  1  0.7968  0.5394  0.3381  1
  O  O16  1  0.0794  0.5255  0.2528  1
  O  O17  1  0.0808  0.7768  0.7466  1
  O  O18  1  0.2039  0.1138  0.4940  1
  O  O19  1  0.2143  0.6020  0.5095  1
  O  O20  1  0.2171  0.8024  0.1665  1
  O  O21  1  0.2180  0.9688  0.8339  1
  O  O22  1  0.2704  0.2828  0.6705  1
  O  O23  1  0.2800  0.9563  0.3288  1
  O  O24  1  0.2915  0.6551  0.9993  1
  O  O25  1  0.4175  0.2290  0.2306  1
  O  O26  1  0.4177  0.4606  0.7686  1
  O  O27  1  0.5794  0.7727  0.7658  1
  O  O28  1  0.5796  0.5396  0.2333  1
  O  O29  1  0.7093  0.3456  0.9994  1
  O  O30  1  0.7206  0.7146  0.3289  1
  O  O31  1  0.7305  0.0463  0.6704  1
  O  O32  1  0.7818  0.1978  0.8335  1
  O  O33  1  0.7825  0.0314  0.1668  1
  O  O34  1  0.7870  0.8889  0.5092  1
  O  O35  1  0.7973  0.3926  0.4940  1
  O  O36  1  0.9210  0.4758  0.7474  1
  O  O37  1  0.9224  0.2218  0.2520  1
  F  F38  1  0.2878  0.1008  0.0013  1
  F  F39  1  0.7108  0.8997  0.0011  1
]