data_SrTlB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.27
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   95.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlB2
_chemical_formula_sum   'Sr1 Tl1 B2'
_cell_volume   99.24
_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  Sr2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.95  0.0  0.66  1.0
  B  B0  1  0.35  0.14  0.39  1.0
  B  B1  1  0.55  0.14  0.93  1.0

data_SrTlB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.37
_cell_length_c   5.34
_cell_angle_alpha   95.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTlB2
_chemical_formula_sum   'Sr1 Tl1 B2'
_cell_volume   99.24
_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
  Tl  Tl1  1  0.0  0.05  0.34  1.0
  B  B2  1  0.86  0.45  0.07  1.0
  B  B3  1  0.86  0.65  0.61  1.0

Sr Tl B B