data_[Ac2Ti1Sn1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.7131]
_cell_length_b [5.7131]
_cell_length_c [5.2559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ac2TiSnO6]
_chemical_formula_sum '[Ac2 Ti1 Sn1 O6]'
_cell_volume [171.5469]
_cell_formula_units_Z [1]
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  0.0115  1
  Ti  Ti1  1  0.0000  0.0000  0.6022  1
  Sn  Sn2  1  0.5000  0.5000  0.6115  1
  O  O3  4  0.2247  0.2247  0.7324  1
  O  O4  1  0.0000  0.0000  0.2546  1
  O  O5  1  0.5000  0.5000  0.0260  1
]