data_KY2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Au
_chemical_formula_sum   'K1 Y2 Au1'
_cell_volume   139.95
_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  K1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.82  0.82  0.6  1.0
  Y  Y3  1  0.82  0.82  0.99  1.0
  Au  Au0  1  0.0  0.0  0.29  1.0

data_KY2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KY2Au
_chemical_formula_sum   'K2 Y4 Au2'
_cell_volume   279.91
_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  0.0  1.0
  Y  Y1  2  0.32  0.5  0.6  1.0
  Y  Y2  2  0.32  0.5  0.99  1.0
  Au  Au3  2  0.0  0.0  0.29  1.0

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