data_KIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   7.38
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIr2
_chemical_formula_sum   'K2 Ir4'
_cell_volume   192.71
_cell_formula_units_Z   2
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  K4  1  0.0  0.0  0.0  1.0
  K  K5  1  0.09  0.69  0.12  1.0
  Ir  Ir0  1  0.13  0.19  0.0  1.0
  Ir  Ir1  1  0.04  0.19  0.0  1.0
  Ir  Ir2  1  0.05  0.5  0.12  1.0
  Ir  Ir3  1  0.13  0.89  0.12  1.0

data_KIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   6.25
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIr2
_chemical_formula_sum   'K2 Ir4'
_cell_volume   192.71
_cell_formula_units_Z   2
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
  K  K1  1  0.91  0.88  0.31  1.0
  Ir  Ir2  1  0.87  0.0  0.81  1.0
  Ir  Ir3  1  0.87  0.88  0.11  1.0
  Ir  Ir4  1  0.95  0.88  0.5  1.0
  Ir  Ir5  1  0.96  0.0  0.81  1.0

K K Ir Ir Ir Ir