data_[Ac2Mo2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2147]
_cell_length_b [7.4779]
_cell_length_c [5.1747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcMoF6]
_chemical_formula_sum '[Ac2 Mo2 F12]'
_cell_volume [238.0458]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.0000  1
  Mo  Mo1  2  0.0000  0.5000  0.5000  1
  F  F2  8  0.1411  0.3254  0.7963  1
  F  F3  4  0.1956  0.0000  0.6172  1
]