data_[Ac2Si2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7060]
_cell_length_b [6.9013]
_cell_length_c [4.5484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcSiF6]
_chemical_formula_sum '[Ac2 Si2 F12]'
_cell_volume [255.6853]
_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  0.5000  0.5000  1
  Si  Si1  2  0.0000  0.0000  0.0000  1
  F  F2  8  0.0679  0.1752  0.8105  1
  F  F3  4  0.1914  0.0000  0.2996  1
]