data_[Na1Sc2W1O6]
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
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3913]
_cell_length_b [5.4442]
_cell_length_c [5.7932]
_cell_angle_alpha [62.1159]
_cell_angle_beta [63.1803]
_cell_angle_gamma [60.5092]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaSc2WO6]
_chemical_formula_sum '[Na1 Sc2 W1 O6]'
_cell_volume [125.3114]
_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  0.8033  0.8000  0.6054  1.0
  Sc  Sc1  1  0.0216  0.0056  0.9533  1.0
  Sc  Sc2  1  0.5241  0.5285  0.4337  1.0
  W  W3  1  0.3217  0.3227  0.0392  1.0
  O  O4  1  0.1576  0.3653  0.7695  1.0
  O  O5  1  0.2445  0.9287  0.2330  1.0
  O  O6  1  0.3685  0.7158  0.7570  1.0
  O  O7  1  0.5770  0.2493  0.2324  1.0
  O  O8  1  0.7146  0.1574  0.7617  1.0
  O  O9  1  0.9286  0.5885  0.2300  1.0
]