data_[Mo2F8]
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 [P1]
_cell_length_a [5.0693]
_cell_length_b [5.3331]
_cell_length_c [6.3782]
_cell_angle_alpha [113.5865]
_cell_angle_beta [110.8505]
_cell_angle_gamma [90.0189]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MoF4]
_chemical_formula_sum '[Mo2 F8]'
_cell_volume [145.6136]
_cell_formula_units_Z [2]
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  1  0.5398  0.9629  0.0255  1.0
  Mo  Mo1  1  0.9820  0.4636  0.0268  1.0
  F  F2  1  0.0805  0.3344  0.7460  1.0
  F  F3  1  0.1895  0.8338  0.7443  1.0
  F  F4  1  0.2926  0.2543  0.1699  1.0
  F  F5  1  0.3584  0.7553  0.1708  1.0
  F  F6  1  0.6555  0.6066  0.8130  1.0
  F  F7  1  0.6759  0.1076  0.8138  1.0
  F  F8  1  0.8224  0.3441  0.2518  1.0
  F  F9  1  0.9006  0.8447  0.2507  1.0
]