data_[Ac4Be2V2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Be  1.5700  1.0500  0.5900
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5342]
_cell_length_b [6.7735]
_cell_length_c [11.3925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac2BeVS6]
_chemical_formula_sum '[Ac4 Be2 V2 S12]'
_cell_volume [412.5821]
_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  0.2301  0.5724  0.7483  1
  Be  Be1  2  0.0000  0.0000  0.5000  1
  V  V2  2  0.5000  0.0000  0.0000  1
  S  S3  4  0.1681  0.7058  0.4642  1
  S  S4  4  0.2593  0.2002  0.4663  1
  S  S5  4  0.3128  0.0062  0.7472  1
]