data_[K4H1Br2Cl1]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8474]
_cell_length_b [4.5293]
_cell_length_c [7.8804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K4HBr2Cl]
_chemical_formula_sum '[K4 H1 Br2 Cl1]'
_cell_volume [264.3847]
_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
[
  K  K0  2  0.2351  0.5000  0.2276  1
  K  K1  2  0.2473  0.0000  0.7686  1
  H  H2  1  0.0000  0.0000  0.0000  1
  Br  Br3  1  0.0000  0.5000  0.5000  1
  Br  Br4  1  0.5000  0.0000  0.5000  1
  Cl  Cl5  1  0.5000  0.5000  0.0000  1
]