data_KZnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   2.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnIr2
_chemical_formula_sum   'K1 Zn1 Ir2'
_cell_volume   70.63
_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  0.0  0.0  1.0
  Zn  Zn3  1  0.88  0.0  0.0  1.0
  Ir  Ir0  1  0.44  0.64  0.3  1.0
  Ir  Ir1  1  0.44  0.36  0.3  1.0

data_KZnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   117.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnIr2
_chemical_formula_sum   'K1 Zn1 Ir2'
_cell_volume   70.63
_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
  Zn  Zn1  1  0.0  0.88  0.0  1.0
  Ir  Ir2  1  0.3  0.44  0.36  1.0
  Ir  Ir3  1  0.3  0.44  0.64  1.0

K Zn Ir Ir