data_[Ac8Zr12O38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [9.4989]
_cell_length_b [9.4989]
_cell_length_c [9.4989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Ac4Zr6O19]
_chemical_formula_sum '[Ac8 Zr12 O38]'
_cell_volume [857.0771]
_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  8  0.1591  0.1591  0.1591  1
  Zr  Zr1  12  0.0000  0.1727  0.5000  1
  O  O2  24  0.0448  0.2841  0.6862  1
  O  O3  12  0.0000  0.0000  0.3554  1
  O  O4  2  0.0000  0.0000  0.0000  1
]