data_K2YTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   6.87
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   92.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YTl
_chemical_formula_sum   'K2 Y1 Tl1'
_cell_volume   151.81
_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  0.81  0.44  0.27  1.0
  K  K1  1  0.73  0.44  0.52  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.77  0.0  0.9  1.0

data_K2YTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.8
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YTl
_chemical_formula_sum   'K2 Y1 Tl1'
_cell_volume   151.81
_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  0.19  0.73  0.56  1.0
  K  K1  1  0.27  0.48  0.56  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.23  0.1  0.0  1.0

K K Y Tl
K K Y Tl 0 1 o o o 2 3 - o - 