data_[Na6Mg6In6S18O72]
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 [R3c]
_cell_length_a [8.7660]
_cell_length_b [8.7660]
_cell_length_c [23.1448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [NaMgIn(SO4)3]
_chemical_formula_sum '[Na6 Mg6 In6 S18 O72]'
_cell_volume [1540.2175]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.4979  1
  Mg  Mg1  6  0.0000  0.0000  0.3513  1
  In  In2  6  0.0000  0.0000  0.1504  1
  S  S3  18  0.0412  0.3711  0.9178  1
  O  O4  18  0.0240  0.1958  0.9105  1
  O  O5  18  0.0305  0.2202  0.1973  1
  O  O6  18  0.1487  0.6921  0.4689  1
  O  O7  18  0.1582  0.6869  0.7557  1
]