data_K2CrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrAu
_chemical_formula_sum   'K2 Cr1 Au1'
_cell_volume   140.63
_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  0.56  0.0  0.34  1.0
  K  K3  1  0.0  0.0  0.46  1.0
  Cr  Cr1  1  0.0  0.0  0.85  1.0
  Au  Au0  1  0.56  0.0  0.51  1.0

data_K2CrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrAu
_chemical_formula_sum   'K2 Cr1 Au1'
_cell_volume   140.63
_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  0.0  0.0  0.46  1.0
  K  K1  1  0.56  0.0  0.34  1.0
  Cr  Cr2  1  0.0  0.0  0.85  1.0
  Au  Au3  1  0.56  0.0  0.51  1.0

K K Cr Au
K K Cr Au 0 3 o o o 0 1 + o o 1 3 - o o 1 2 o o o 2 3 - o o 2 3 o o o 2 2 o + o 2 2 + o o 