data_[Ac4V2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6216]
_cell_length_b [6.5333]
_cell_length_c [5.6044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2VS6]
_chemical_formula_sum '[Ac4 V2 S12]'
_cell_volume [388.0983]
_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  4  0.1611  0.5000  0.2481  1
  V  V1  2  0.0000  0.0000  0.0000  1
  S  S2  8  0.0991  0.2621  0.7786  1
  S  S3  4  0.1592  0.0000  0.2853  1
]