data_K2SiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SiAu
_chemical_formula_sum   'K2 Si1 Au1'
_cell_volume   110.76
_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  0.47  0.54  0.85  1.0
  K  K2  1  0.47  0.46  0.85  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.95  0.0  0.0  1.0

data_K2SiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   119.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SiAu
_chemical_formula_sum   'K2 Si1 Au1'
_cell_volume   110.76
_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  0.85  0.47  0.46  1.0
  K  K1  1  0.85  0.47  0.54  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.95  0.0  1.0

K K Si Au
K K Si Au 0 1 o o o 2 3 - o o 