data_K2CrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13
_cell_length_b   9.13
_cell_length_c   9.13
_cell_angle_alpha   160.74
_cell_angle_beta   153.93
_cell_angle_gamma   32.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrIr
_chemical_formula_sum   'K2 Cr1 Ir1'
_cell_volume   110.29
_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  0.06  0.78  1.0
  K  K3  1  0.53  0.0  0.98  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.76  1.0

data_K2CrIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.12
_cell_length_c   9.13
_cell_angle_alpha   103.04
_cell_angle_beta   99.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrIr
_chemical_formula_sum   'K2 Cr1 Ir1'
_cell_volume   110.29
_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  0.98  0.45  1.0
  K  K1  1  0.94  0.72  0.72  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.76  0.76  1.0

K K Cr Ir