data_K2IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.49
_cell_length_b   11.49
_cell_length_c   11.49
_cell_angle_alpha   14.02
_cell_angle_beta   14.02
_cell_angle_gamma   14.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2IrOs
_chemical_formula_sum   'K2 Ir1 Os1'
_cell_volume   77.54
_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  0.48  1.0
  K  K2  1  0.0  0.0  0.65  1.0
  Ir  Ir0  1  0.0  0.0  0.06  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_K2IrOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   2.81
_cell_length_c   11.49
_cell_angle_alpha   90.0
_cell_angle_beta   98.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2IrOs
_chemical_formula_sum   'K4 Ir2 Os2'
_cell_volume   155.08
_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  0.52  1.0
  K  K1  2  -0.0  0.0  0.35  1.0
  Ir  Ir2  2  -0.0  0.0  0.94  1.0
  Os  Os3  2  0.0  0.0  0.0  1.0

K K Ir Os
K K Ir Os 0 1 o o o 2 3 o o o 