data_KBiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   120.82
_cell_angle_beta   120.82
_cell_angle_gamma   88.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBiAu2
_chemical_formula_sum   'K1 Bi1 Au2'
_cell_volume   101.2
_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  0.0  0.76  1.0
  Au  Au0  1  0.59  0.0  0.88  1.0
  Au  Au1  1  0.0  0.59  0.88  1.0

data_KBiAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   134.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBiAu2
_chemical_formula_sum   'K2 Bi2 Au4'
_cell_volume   202.4
_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
  Bi  Bi1  2  0.0  0.0  0.76  1.0
  Au  Au2  4  0.2  0.2  0.29  1.0

K Bi Au Au