data_Y2ZrTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrTl
_chemical_formula_sum   'Y2 Zr1 Tl1'
_cell_volume   108.9
_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  Y1  1  0.81  0.84  0.74  1.0
  Y  Y2  1  0.81  0.16  0.74  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Tl  Tl0  1  0.62  0.0  0.0  1.0

data_Y2ZrTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   99.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZrTl
_chemical_formula_sum   'Y2 Zr1 Tl1'
_cell_volume   108.9
_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  0.74  0.81  0.16  1.0
  Y  Y1  1  0.74  0.81  0.84  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.62  0.0  1.0

Y Y Zr Tl