data_K2BiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   143.24
_cell_angle_beta   117.94
_cell_angle_gamma   74.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BiBr
_chemical_formula_sum   'K2 Bi1 Br1'
_cell_volume   157.34
_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  0.12  0.0  0.32  1.0
  K  K3  1  0.0  0.47  0.04  1.0
  Bi  Bi0  1  0.0  0.0  0.36  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_K2BiBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   62.06
_cell_angle_beta   71.62
_cell_angle_gamma   71.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BiBr
_chemical_formula_sum   'K2 Bi1 Br1'
_cell_volume   157.34
_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  0.04  0.0  0.42  1.0
  K  K1  1  0.2  0.12  0.68  1.0
  Bi  Bi2  1  0.36  0.0  0.64  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

K K Bi Br