data_KIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   6.03
_cell_angle_alpha   109.77
_cell_angle_beta   109.77
_cell_angle_gamma   26.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIrOs2
_chemical_formula_sum   'K1 Ir1 Os2'
_cell_volume   89.11
_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  0.0  1.0
  Ir  Ir0  1  0.79  0.0  0.83  1.0
  Os  Os2  1  0.53  0.0  0.18  1.0
  Os  Os3  1  0.05  0.0  0.48  1.0

data_KIrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.99
_cell_length_c   6.03
_cell_angle_alpha   109.77
_cell_angle_beta   90.0
_cell_angle_gamma   103.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIrOs2
_chemical_formula_sum   'K1 Ir1 Os2'
_cell_volume   89.11
_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
  Ir  Ir1  1  0.0  0.21  0.17  1.0
  Os  Os2  1  0.0  0.47  0.82  1.0
  Os  Os3  1  0.0  0.95  0.52  1.0

K Ir Os Os