data_[K4Ac2Ti2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8559]
_cell_length_b [9.7759]
_cell_length_c [5.1127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K2AcTiO4]
_chemical_formula_sum '[K4 Ac2 Ti2 O8]'
_cell_volume [392.6488]
_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
[
  K  K0  4  0.2207  0.6802  0.5477  1
  Ac  Ac1  2  0.0000  0.1247  0.5445  1
  Ti  Ti2  2  0.0000  0.8818  0.9973  1
  O  O3  4  0.2032  0.7987  0.0799  1
  O  O4  2  0.0000  0.0710  0.0628  1
  O  O5  2  0.0000  0.8872  0.6403  1
]