data_[Ac2In2S4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.1605]
_cell_length_b [4.1605]
_cell_length_c [13.1118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [AcInS2O]
_chemical_formula_sum '[Ac2 In2 S4 O2]'
_cell_volume [226.9634]
_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  0.3988  1
  In  In1  2  0.0000  0.5000  0.8962  1
  S  S2  2  0.0000  0.5000  0.0851  1
  S  S3  2  0.0000  0.5000  0.7143  1
  O  O4  2  0.0000  0.0000  0.5000  1
]