data_[Ac4V4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7930]
_cell_length_b [7.0227]
_cell_length_c [8.3016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AcVF5]
_chemical_formula_sum '[Ac4 V4 F20]'
_cell_volume [516.5984]
_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
[
  Ac  Ac0  4  0.0000  0.4455  0.7500  1
  V  V1  4  0.0000  0.0000  0.0000  1
  F  F2  8  0.0081  0.3037  0.4699  1
  F  F3  8  0.2345  0.0216  0.1192  1
  F  F4  4  0.0000  0.0859  0.7500  1
]