data_[Cr2S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.7337]
_cell_length_b [2.9318]
_cell_length_c [17.8952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CrSO]
_chemical_formula_sum '[Cr2 S2 O2]'
_cell_volume [300.8150]
_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
[
  Cr  Cr0  1  0.1439  0.5000  0.5430  1
  Cr  Cr1  1  0.6477  0.5000  0.5443  1
  S  S2  1  0.0808  0.5000  0.4052  1
  S  S3  1  0.7445  0.5000  0.3975  1
  O  O4  1  0.3928  0.0000  0.5508  1
  O  O5  1  0.9003  0.0000  0.5593  1
]