data_[Ac2V2O5]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8885]
_cell_length_b [4.0627]
_cell_length_c [7.9932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ac2V2O5]
_chemical_formula_sum '[Ac2 V2 O5]'
_cell_volume [126.2771]
_cell_formula_units_Z [1]
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  0.5000  0.0000  0.2408  1
  V  V1  1  0.0000  0.5000  0.0000  1
  V  V2  1  0.0000  0.5000  0.5000  1
  O  O3  2  0.0000  0.5000  0.2544  1
  O  O4  1  0.0000  0.0000  0.0000  1
  O  O5  1  0.0000  0.0000  0.5000  1
  O  O6  1  0.5000  0.5000  0.0000  1
]