data_[Ta2S2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9331]
_cell_length_b [5.9274]
_cell_length_c [8.2743]
_cell_angle_alpha [71.5181]
_cell_angle_beta [88.3871]
_cell_angle_gamma [76.8326]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaSO3]
_chemical_formula_sum '[Ta2 S2 O6]'
_cell_volume [177.9346]
_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
[
  Ta  Ta0  2  0.4955  0.2703  0.9555  1
  S  S1  2  0.0999  0.5572  0.3885  1
  O  O2  2  0.0136  0.6726  0.1649  1
  O  O3  2  0.3246  0.6348  0.8689  1
  O  O4  2  0.3417  0.0151  0.1289  1
]