data_[Bi2S1O5]
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 [P1]
_cell_length_a [4.1618]
_cell_length_b [4.2696]
_cell_length_c [7.1615]
_cell_angle_alpha [106.3965]
_cell_angle_beta [99.8247]
_cell_angle_gamma [90.8404]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Bi2SO5]
_chemical_formula_sum '[Bi2 S1 O5]'
_cell_volume [120.0231]
_cell_formula_units_Z [1]
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  1  0.2000  0.9711  0.5303  1.0
  Bi  Bi1  1  0.6433  0.2654  0.1817  1.0
  S  S2  1  0.9561  0.5216  0.8907  1.0
  O  O3  1  0.1919  0.3138  0.3507  1.0
  O  O4  1  0.3212  0.4586  0.9090  1.0
  O  O5  1  0.7094  0.8046  0.3412  1.0
  O  O6  1  0.8227  0.3382  0.6675  1.0
  O  O7  1  0.9325  0.8807  0.9059  1.0
]