data_[Bi2S2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.2002]
_cell_length_b [7.1686]
_cell_length_c [3.5267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BiSO2]
_chemical_formula_sum '[Bi2 S2 O4]'
_cell_volume [156.3369]
_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
[
  Bi  Bi0  2  0.3836  0.0000  0.6396  1
  S  S1  2  0.3209  0.5000  0.4682  1
  O  O2  4  0.4393  0.3289  0.6614  1
]