data_[K8Mo4O16F16]
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 [P2_1/c]
_cell_length_a [6.3602]
_cell_length_b [6.4152]
_cell_length_c [18.5680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2Mo(OF)4]
_chemical_formula_sum '[K8 Mo4 O16 F16]'
_cell_volume [754.1862]
_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
[
  K  K0  4  0.2519  0.6510  0.2464  1
  K  K1  4  0.3105  0.1485  0.3997  1
  Mo  Mo2  4  0.2162  0.1672  0.1304  1
  O  O3  4  0.0482  0.5989  0.6260  1
  O  O4  4  0.0868  0.5748  0.3822  1
  O  O5  4  0.2607  0.1809  0.0412  1
  O  O6  4  0.3052  0.6595  0.0118  1
  F  F7  4  0.0662  0.0622  0.6340  1
  F  F8  4  0.1838  0.1675  0.2413  1
  F  F9  4  0.4416  0.5436  0.6601  1
  F  F10  4  0.4570  0.1428  0.6627  1
]