data_SrY2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   131.83
_cell_angle_beta   131.83
_cell_angle_gamma   70.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Tl
_chemical_formula_sum   'Sr1 Y2 Tl1'
_cell_volume   129.84
_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  0.0  0.0  1.0
  Y  Y2  1  0.0  0.53  0.53  1.0
  Y  Y3  1  0.53  0.0  0.53  1.0
  Tl  Tl1  1  0.0  0.0  0.07  1.0

data_SrY2Tl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   125.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrY2Tl
_chemical_formula_sum   'Sr2 Y4 Tl2'
_cell_volume   259.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Y  Y1  4  0.23  0.23  1.0  1.0
  Tl  Tl2  2  0.43  0.5  0.93  1.0

Sr Y Y Tl