data_[Na4Mo4O8F12]
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 [Imma]
_cell_length_a [5.2452]
_cell_length_b [6.0705]
_cell_length_c [11.7804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaMoO2F3]
_chemical_formula_sum '[Na4 Mo4 O8 F12]'
_cell_volume [375.0970]
_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  4  0.0000  0.2500  0.8536  1
  Mo  Mo1  4  0.0000  0.2500  0.3881  1
  O  O2  8  0.2459  0.2500  0.0198  1
  F  F3  8  0.0000  0.0539  0.6609  1
  F  F4  4  0.2500  0.2500  0.2500  1
]