data_[Ac6Si2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2602]
_cell_length_b [4.2502]
_cell_length_c [8.6635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac3SiO]
_chemical_formula_sum '[Ac6 Si2 O2]'
_cell_volume [295.3922]
_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  0.0601  0.2500  0.3498  1
  Ac  Ac1  2  0.2463  0.2500  0.9732  1
  Ac  Ac2  2  0.3959  0.7500  0.6515  1
  Si  Si3  2  0.3066  0.7500  0.2720  1
  O  O4  2  0.1672  0.2500  0.6590  1
]