data_[Na6Sc6Zn6S18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [8.7351]
_cell_length_b [8.7351]
_cell_length_c [22.9569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [NaScZn(SO4)3]
_chemical_formula_sum '[Na6 Sc6 Zn6 S18 O72]'
_cell_volume [1516.9664]
_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  0.4975  1
  Sc  Sc1  6  0.0000  0.0000  0.1480  1
  Zn  Zn2  6  0.0000  0.0000  0.3498  1
  S  S3  18  0.0421  0.3723  0.9173  1
  O  O4  18  0.0218  0.1952  0.9104  1
  O  O5  18  0.0261  0.8165  0.6978  1
  O  O6  18  0.1479  0.6953  0.4699  1
  O  O7  18  0.1601  0.4694  0.2562  1
]