data_KYTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   5.8
_cell_angle_alpha   101.45
_cell_angle_beta   101.45
_cell_angle_gamma   31.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYTl2
_chemical_formula_sum   'K1 Y1 Tl2'
_cell_volume   127.78
_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  0.36  0.0  0.71  1.0
  Y  Y3  1  0.64  0.0  0.33  1.0
  Tl  Tl1  1  0.02  0.0  0.3  1.0
  Tl  Tl2  1  0.83  0.0  0.85  1.0

data_KYTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.8
_cell_length_c   6.53
_cell_angle_alpha   101.45
_cell_angle_beta   105.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYTl2
_chemical_formula_sum   'K1 Y1 Tl2'
_cell_volume   127.78
_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  0.71  0.36  1.0
  Y  Y1  1  0.0  0.33  0.64  1.0
  Tl  Tl2  1  0.0  0.3  0.02  1.0
  Tl  Tl3  1  0.0  0.85  0.83  1.0

K Y Tl Tl