data_KLiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   10.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiIr2
_chemical_formula_sum   'K1 Li1 Ir2'
_cell_volume   88.43
_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  0.77  0.0  0.09  1.0
  Li  Li3  1  0.0  0.0  0.57  1.0
  Ir  Ir0  1  0.77  0.0  0.01  1.0
  Ir  Ir1  1  0.0  0.0  0.63  1.0

data_KLiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   10.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiIr2
_chemical_formula_sum   'K1 Li1 Ir2'
_cell_volume   88.43
_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  0.77  0.0  0.09  1.0
  Li  Li1  1  0.0  0.0  0.57  1.0
  Ir  Ir2  1  0.0  0.0  0.63  1.0
  Ir  Ir3  1  0.77  0.0  0.01  1.0

K Li Ir Ir