data_[Mo4H4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9563]
_cell_length_b [5.3440]
_cell_length_c [6.7141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MoHF4]
_chemical_formula_sum '[Mo4 H4 F16]'
_cell_volume [357.3180]
_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  0.0204  0.7500  1.0
  H  H1  4  0.2500  0.2500  0.0000  1.0
  F  F2  8  0.0007  0.2390  0.4883  1.0
  F  F3  8  0.2104  0.0650  0.9032  1.0
]