data_K2TlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   9.03
_cell_angle_alpha   105.84
_cell_angle_beta   105.84
_cell_angle_gamma   59.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlRh
_chemical_formula_sum   'K2 Tl1 Rh1'
_cell_volume   161.31
_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  0.92  0.0  0.93  1.0
  K  K1  1  0.93  0.0  0.5  1.0
  Tl  Tl3  1  0.38  0.0  0.22  1.0
  Rh  Rh2  1  0.69  0.0  0.22  1.0

data_K2TlRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   4.67
_cell_length_c   8.97
_cell_angle_alpha   75.74
_cell_angle_beta   75.02
_cell_angle_gamma   60.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlRh
_chemical_formula_sum   'K2 Tl1 Rh1'
_cell_volume   161.31
_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  0.44  0.5  1.0
  K  K1  1  0.0  0.99  0.93  1.0
  Tl  Tl2  1  0.0  0.16  0.22  1.0
  Rh  Rh3  1  0.0  0.46  0.22  1.0

K K Tl Rh
K K Tl Rh 0 3 o o + 0 2 + o + 1 3 o o o 2 3 o o o 