data_K2TlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   5.7
_cell_angle_alpha   114.64
_cell_angle_beta   114.64
_cell_angle_gamma   36.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlIr
_chemical_formula_sum   'K2 Tl1 Ir1'
_cell_volume   131.1
_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  0.34  0.0  0.23  1.0
  K  K2  1  0.06  0.0  0.74  1.0
  Tl  Tl3  1  0.37  0.0  0.29  1.0
  Ir  Ir0  1  0.13  0.0  0.41  1.0

data_K2TlIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   5.7
_cell_length_c   6.55
_cell_angle_alpha   114.64
_cell_angle_beta   108.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlIr
_chemical_formula_sum   'K2 Tl1 Ir1'
_cell_volume   131.1
_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  0.23  0.34  1.0
  K  K1  1  0.0  0.74  0.06  1.0
  Tl  Tl2  1  0.0  0.29  0.37  1.0
  Ir  Ir3  1  0.0  0.41  0.13  1.0

K K Tl Ir
K K Tl Ir 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 