data_YTaTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   5.41
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   93.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaTl2
_chemical_formula_sum   'Y1 Ta1 Tl2'
_cell_volume   95.51
_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  0.3  0.0  0.52  1.0
  Ta  Ta0  1  0.5  0.7  0.38  1.0
  Tl  Tl1  1  0.69  0.0  0.21  1.0
  Tl  Tl2  1  0.7  0.7  0.62  1.0

data_YTaTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.41
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   93.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaTl2
_chemical_formula_sum   'Y1 Ta1 Tl2'
_cell_volume   95.51
_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  0.3  0.0  0.52  1.0
  Ta  Ta1  1  0.5  0.7  0.38  1.0
  Tl  Tl2  1  0.69  0.0  0.21  1.0
  Tl  Tl3  1  0.7  0.7  0.62  1.0

Y Ta Tl Tl