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 [Cm]
_cell_length_a [11.1023]
_cell_length_b [5.3590]
_cell_length_c [5.0543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MoF4]
_chemical_formula_sum '[Mo4 F16]'
_cell_volume [287.4520]
_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  2  0.0369  0.5000  0.0211  1.0
  Mo  Mo1  2  0.0387  0.0000  0.4650  1.0
  F  F2  4  0.1456  0.2492  0.3112  1.0
  F  F3  4  0.4223  0.2489  0.1709  1.0
  F  F4  4  0.4629  0.2521  0.6953  1.0
  F  F5  2  0.1761  0.5000  0.8783  1.0
  F  F6  2  0.1802  0.0000  0.7838  1.0
]