data_K2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   33.29
_cell_angle_beta   33.29
_cell_angle_gamma   33.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AuBr
_chemical_formula_sum   'K2 Au1 Br1'
_cell_volume   155.46
_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  0.0  0.0  0.95  1.0
  K  K3  1  0.0  0.0  0.65  1.0
  Au  Au0  1  0.0  0.0  0.8  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_K2AuBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.27
_cell_length_b   4.78
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   109.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2AuBr
_chemical_formula_sum   'K4 Au2 Br2'
_cell_volume   310.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.05  1.0
  K  K1  2  0.0  0.0  0.35  1.0
  Au  Au2  2  0.0  0.0  0.2  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

K K Au Br