data_[Ac2Fe4Se2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Fe  1.8300  1.4000  0.8525
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5841]
_cell_length_b [4.8716]
_cell_length_c [5.6917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcFe2SeO8]
_chemical_formula_sum '[Ac2 Fe4 Se2 O16]'
_cell_volume [305.0095]
_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  2  0.0000  0.5000  0.5000  1
  Fe  Fe1  4  0.2325  0.5000  0.1438  1
  Se  Se2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.0984  0.2572  0.1966  1
  O  O4  4  0.0843  0.0000  0.7678  1
  O  O5  4  0.2006  0.5000  0.8119  1
]