data_[Ac8Se10O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1918]
_cell_length_b [8.1371]
_cell_length_c [19.1591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac4Se5O]
_chemical_formula_sum '[Ac8 Se10 O2]'
_cell_volume [653.5055]
_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  0.0000  0.2205  0.0000  1
  Ac  Ac1  4  0.0000  0.5000  0.2804  1
  Se  Se2  8  0.0000  0.2416  0.1609  1
  Se  Se3  2  0.0000  0.0000  0.5000  1
  O  O4  2  0.0000  0.5000  0.5000  1
]