data_KOs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   144.0
_cell_angle_beta   127.53
_cell_angle_gamma   65.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KOs2Au
_chemical_formula_sum   'K1 Os2 Au1'
_cell_volume   85.47
_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  0.22  1.0
  Os  Os2  1  0.0  0.52  0.61  1.0
  Os  Os3  1  0.0  0.0  0.48  1.0
  Au  Au0  1  0.0  0.52  0.09  1.0

data_KOs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.04
_cell_length_c   5.71
_cell_angle_alpha   116.24
_cell_angle_beta   108.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KOs2Au
_chemical_formula_sum   'K1 Os2 Au1'
_cell_volume   85.47
_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  0.22  0.22  1.0
  Os  Os1  1  0.0  0.48  0.48  1.0
  Os  Os2  1  0.48  0.09  0.09  1.0
  Au  Au3  1  0.48  0.57  0.57  1.0

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