data_[Ac12As4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.7296]
_cell_length_b [12.2057]
_cell_length_c [6.4075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac3AsO6]
_chemical_formula_sum '[Ac12 As4 O24]'
_cell_volume [760.9330]
_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  8  0.1980  0.1108  0.4807  1
  Ac  Ac1  4  0.0000  0.4002  0.4473  1
  As  As2  4  0.0000  0.1741  0.0433  1
  O  O3  8  0.1432  0.2496  0.1609  1
  O  O4  8  0.1620  0.4900  0.7140  1
  O  O5  4  0.0000  0.0489  0.2066  1
  O  O6  4  0.0000  0.2176  0.5771  1
]