data_[K9Mo3O9F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [6.1410]
_cell_length_b [6.1410]
_cell_length_c [15.0338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K3Mo(OF)3]
_chemical_formula_sum '[K9 Mo3 O9 F9]'
_cell_volume [490.9935]
_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
[
  K  K0  3  0.0000  0.0000  0.2541  1
  K  K1  3  0.0000  0.0000  0.4918  1
  K  K2  3  0.0000  0.0000  0.7569  1
  Mo  Mo3  3  0.0000  0.0000  0.0022  1
  O  O4  9  0.0454  0.4444  0.7194  1
  F  F5  9  0.1148  0.7168  0.5704  1
]