data_[Na6Sc2F14]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0171]
_cell_length_b [7.9324]
_cell_length_c [6.0273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3ScF7]
_chemical_formula_sum '[Na6 Sc2 F14]'
_cell_volume [298.3670]
_cell_formula_units_Z [2]
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  4  0.0044  0.2257  0.5129  1.0
  Na  Na1  2  0.4995  0.0000  0.0695  1.0
  Sc  Sc2  2  0.4431  0.5000  0.9498  1.0
  F  F3  4  0.1543  0.1788  0.2746  1.0
  F  F4  4  0.3918  0.2448  0.8073  1.0
  F  F5  2  0.1280  0.0000  0.8277  1.0
  F  F6  2  0.1368  0.5000  0.5589  1.0
  F  F7  2  0.3166  0.5000  0.1544  1.0
]