data_KBiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   133.05
_cell_angle_beta   133.05
_cell_angle_gamma   68.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiAu2
_chemical_formula_sum   'K1 Bi1 Au2'
_cell_volume   100.58
_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  K3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.3  0.38  1.0
  Au  Au0  1  0.3  0.0  0.38  1.0
  Au  Au1  1  0.0  0.0  0.76  1.0

data_KBiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.77
_cell_angle_alpha   113.48
_cell_angle_beta   113.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiAu2
_chemical_formula_sum   'K1 Bi1 Au2'
_cell_volume   100.58
_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  0.0  1.0
  Bi  Bi1  1  0.91  0.3  0.91  1.0
  Au  Au2  1  0.24  0.0  0.24  1.0
  Au  Au3  1  0.62  0.0  0.91  1.0

K Bi Au Au