data_[K12S2Br4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.6869]
_cell_length_b [11.1975]
_cell_length_c [8.4158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K6SBr2O]
_chemical_formula_sum '[K12 S2 Br4 O2]'
_cell_volume [724.3901]
_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
[
  K  K0  4  0.0000  0.2351  0.2118  1
  K  K1  4  0.2358  0.0000  0.9806  1
  K  K2  4  0.2380  0.5000  0.5857  1
  S  S3  2  0.0000  0.5000  0.2965  1
  Br  Br4  4  0.0000  0.2868  0.8165  1
  O  O5  2  0.0000  0.0000  0.2163  1
]