data_YTl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   143.68
_cell_angle_beta   131.69
_cell_angle_gamma   61.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl3
_chemical_formula_sum   'Y1 Tl3'
_cell_volume   113.24
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl0  1  0.0  0.61  0.77  1.0
  Tl  Tl1  1  0.0  0.0  0.47  1.0
  Tl  Tl2  1  0.99  0.0  0.69  1.0

data_YTl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   5.22
_cell_length_c   6.37
_cell_angle_alpha   114.15
_cell_angle_beta   108.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl3
_chemical_formula_sum   'Y1 Tl3'
_cell_volume   113.24
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.23  0.84  0.84  1.0
  Tl  Tl2  1  0.29  0.31  0.29  1.0
  Tl  Tl3  1  0.53  0.53  0.53  1.0

Y Tl Tl Tl