data_[Na12Sc4Si8O28]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3158]
_cell_length_b [13.0019]
_cell_length_c [5.3266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Na3ScSi2O7]
_chemical_formula_sum '[Na12 Sc4 Si8 O28]'
_cell_volume [645.1713]
_cell_formula_units_Z [4]
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  8  0.1522  0.5971  0.4808  1
  Na  Na1  4  0.0210  0.2500  0.9831  1
  Sc  Sc2  4  0.0000  0.0000  0.0000  1
  Si  Si3  8  0.1761  0.1317  0.4861  1
  O  O4  8  0.0906  0.0563  0.6772  1
  O  O5  8  0.1313  0.1092  0.1955  1
  O  O6  8  0.1518  0.6225  0.0304  1
  O  O7  4  0.1189  0.2500  0.5634  1
]