data_[Mo4F20]
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 [C2/c]
_cell_length_a [9.1422]
_cell_length_b [6.1681]
_cell_length_c [7.9243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MoF5]
_chemical_formula_sum '[Mo4 F20]'
_cell_volume [403.4266]
_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  0.0000  0.0000  0.0000  1.0
  F  F1  8  0.0622  0.2834  0.4680  1.0
  F  F2  8  0.2156  0.0947  0.1283  1.0
  F  F3  4  0.0000  0.0876  0.7500  1.0
]