data_[Ac3Cr3H9O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.9714]
_cell_length_b [5.9714]
_cell_length_c [12.9097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [AcCr(HO2)3]
_chemical_formula_sum '[Ac3 Cr3 H9 O18]'
_cell_volume [398.6576]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4222  1
  Cr  Cr1  3  0.0000  0.0000  0.1646  1
  H  H2  9  0.1890  0.8007  0.6633  1
  O  O3  9  0.0497  0.4627  0.8913  1
  O  O4  9  0.1007  0.7083  0.7264  1
]