data_[Na9Mo3O9F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6805]
_cell_length_b [5.6805]
_cell_length_c [14.9430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na3Mo(OF)3]
_chemical_formula_sum '[Na9 Mo3 O9 F9]'
_cell_volume [417.5848]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2258  1.0
  Na  Na1  3  0.0000  0.0000  0.5092  1.0
  Na  Na2  3  0.0000  0.0000  0.7272  1.0
  Mo  Mo3  3  0.0000  0.0000  0.0015  1.0
  O  O4  9  0.0732  0.3639  0.6171  1.0
  F  F5  9  0.0242  0.7453  0.1036  1.0
]