data_KAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   2.69
_cell_angle_alpha   103.08
_cell_angle_beta   103.08
_cell_angle_gamma   120.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAsIr2
_chemical_formula_sum   'K1 As1 Ir2'
_cell_volume   71.54
_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  K3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.92  0.0  0.0  1.0
  Ir  Ir1  1  0.46  0.44  0.0  1.0
  Ir  Ir2  1  0.46  0.56  0.0  1.0

data_KAsIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   5.19
_cell_length_c   5.89
_cell_angle_alpha   116.05
_cell_angle_beta   103.08
_cell_angle_gamma   90.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAsIr2
_chemical_formula_sum   'K1 As1 Ir2'
_cell_volume   71.54
_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  K0  1  0.0  0.0  0.0  1.0
  As  As1  1  -0.0  0.0  0.92  1.0
  Ir  Ir2  1  0.44  0.44  0.9  1.0
  Ir  Ir3  1  0.56  0.56  0.02  1.0

K As Ir Ir