data_K2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   7.96
_cell_angle_alpha   147.26
_cell_angle_beta   147.26
_cell_angle_gamma   46.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BrCl
_chemical_formula_sum   'K2 Br1 Cl1'
_cell_volume   146.74
_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  K2  1  0.24  0.0  0.65  1.0
  K  K3  1  0.0  0.0  0.3  1.0
  Br  Br0  1  0.0  0.24  0.65  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_K2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   7.96
_cell_angle_alpha   106.37
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BrCl
_chemical_formula_sum   'K2 Br1 Cl1'
_cell_volume   146.74
_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  1  0.3  0.3  0.3  1.0
  K  K1  1  0.65  0.41  0.41  1.0
  Br  Br2  1  0.41  0.65  0.41  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

K K Br Cl