data_[K12H10Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2126]
_cell_length_b [12.4933]
_cell_length_c [7.1760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K6H5Br]
_chemical_formula_sum '[K12 H10 Br2]'
_cell_volume [609.5123]
_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  8  0.2306  0.3188  0.7437  1
  K  K1  4  0.2336  0.5000  0.2743  1
  H  H2  4  0.0000  0.1674  0.5000  1
  H  H3  4  0.0000  0.3323  0.0000  1
  H  H4  2  0.0000  0.5000  0.5000  1
  Br  Br5  2  0.0000  0.0000  0.0000  1
]