data_Y2TlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   6.42
_cell_angle_alpha   102.38
_cell_angle_beta   102.38
_cell_angle_gamma   42.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlZn
_chemical_formula_sum   'Y2 Tl1 Zn1'
_cell_volume   109.53
_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  0.71  0.0  0.47  1.0
  Y  Y2  1  0.28  0.0  0.78  1.0
  Tl  Tl0  1  1.0  0.0  0.12  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_Y2TlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.08
_cell_length_c   6.42
_cell_angle_alpha   102.38
_cell_angle_beta   90.0
_cell_angle_gamma   111.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlZn
_chemical_formula_sum   'Y2 Tl1 Zn1'
_cell_volume   109.53
_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  0.29  0.53  1.0
  Y  Y1  1  0.0  0.72  0.22  1.0
  Tl  Tl2  1  0.0  0.0  0.88  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Y Y Tl Zn