data_SrYTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   5.6
_cell_angle_alpha   107.66
_cell_angle_beta   107.66
_cell_angle_gamma   33.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYTl2
_chemical_formula_sum   'Sr1 Y1 Tl2'
_cell_volume   125.03
_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
  Sr  Sr0  1  0.88  0.0  0.29  1.0
  Y  Y3  1  0.35  0.0  0.32  1.0
  Tl  Tl1  1  0.51  0.0  0.06  1.0
  Tl  Tl2  1  0.62  0.0  0.6  1.0

data_SrYTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   5.6
_cell_length_c   6.54
_cell_angle_alpha   107.66
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYTl2
_chemical_formula_sum   'Sr1 Y1 Tl2'
_cell_volume   125.03
_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
  Sr  Sr0  1  0.0  0.29  0.88  1.0
  Y  Y1  1  0.0  0.32  0.35  1.0
  Tl  Tl2  1  0.0  0.06  0.51  1.0
  Tl  Tl3  1  0.0  0.6  0.62  1.0

Sr Y Tl Tl