data_KOsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.53
_cell_length_b   10.53
_cell_length_c   10.53
_cell_angle_alpha   15.88
_cell_angle_beta   15.88
_cell_angle_gamma   15.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KOsAu2
_chemical_formula_sum   'K1 Os1 Au2'
_cell_volume   76.19
_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  K2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.6  1.0
  Au  Au0  1  0.0  0.0  0.51  1.0
  Au  Au1  1  0.0  0.0  0.68  1.0

data_KOsAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.04
_cell_length_b   2.91
_cell_length_c   10.53
_cell_angle_alpha   90.0
_cell_angle_beta   99.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KOsAu2
_chemical_formula_sum   'K2 Os2 Au4'
_cell_volume   152.37
_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
  Os  Os1  2  0.0  0.0  0.4  1.0
  Au  Au2  2  0.0  0.0  0.32  1.0
  Au  Au3  2  0.0  0.0  0.49  1.0

K Os Au Au