data_[Sr2Tl1B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4941]
_cell_length_b [5.6956]
_cell_length_c [6.5780]
_cell_angle_alpha [113.7545]
_cell_angle_beta [101.9743]
_cell_angle_gamma [104.8784]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2Tl(BO3)2]
_chemical_formula_sum '[Sr2 Tl1 B2 O6]'
_cell_volume [170.4678]
_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  2  0.2352  0.6034  0.8187  1.0
  Tl  Tl1  1  0.5000  0.0000  0.5000  1.0
  B  B2  2  0.0322  0.0083  0.7520  1.0
  O  O3  2  0.0838  0.7952  0.1741  1.0
  O  O4  2  0.1164  0.2689  0.3931  1.0
  O  O5  2  0.3158  0.1154  0.8367  1.0
]