data_K2GeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.66
_cell_length_c   10.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeIr
_chemical_formula_sum   'K2 Ge1 Ir1'
_cell_volume   116.39
_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  0.9  1.0
  K  K3  1  0.57  0.83  0.68  1.0
  Ge  Ge0  1  0.0  0.0  0.26  1.0
  Ir  Ir1  1  0.57  0.83  0.34  1.0

data_K2GeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.66
_cell_length_c   10.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GeIr
_chemical_formula_sum   'K2 Ge1 Ir1'
_cell_volume   116.39
_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  0.9  1.0
  K  K1  1  0.57  0.83  0.68  1.0
  Ge  Ge2  1  0.0  0.0  0.26  1.0
  Ir  Ir3  1  0.57  0.83  0.34  1.0

K K Ge Ir
K K Ge Ir 0 1 - - o 0 1 o - o 0 0 + o o 1 1 + o o 1 3 o o o 2 3 - - o 