data_K2SnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   127.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SnIr
_chemical_formula_sum   'K2 Sn1 Ir1'
_cell_volume   104.79
_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  K1  1  0.38  0.23  0.72  1.0
  K  K2  1  0.38  0.77  0.72  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.75  0.0  0.0  1.0

data_K2SnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.51
_cell_length_c   6.19
_cell_angle_alpha   116.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SnIr
_chemical_formula_sum   'K2 Sn1 Ir1'
_cell_volume   104.79
_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  0.72  0.23  0.6  1.0
  K  K1  1  0.72  0.77  0.15  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.75  1.0

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