data_[Mo4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [8.0586]
_cell_length_b [8.2211]
_cell_length_c [18.6893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [MoF4]
_chemical_formula_sum '[Mo4 F16]'
_cell_volume [1238.1669]
_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
[
  Mo  Mo0  4  0.2500  0.2500  0.5000  1
  F  F1  8  0.1916  0.2500  0.5987  1
  F  F2  4  0.0000  0.2500  0.4713  1
  F  F3  4  0.2500  0.0000  0.5000  1
]