data_[Sr8Tl4B4O20]
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 [Cmc2_1]
_cell_length_a [3.4232]
_cell_length_b [13.6593]
_cell_length_c [11.0560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TlBO5]
_chemical_formula_sum '[Sr8 Tl4 B4 O20]'
_cell_volume [516.9660]
_cell_formula_units_Z [4]
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  4  0.0000  0.1090  0.6699  1
  Sr  Sr1  4  0.0000  0.1398  0.3516  1
  Tl  Tl2  4  0.0000  0.1811  0.0542  1
  B  B3  4  0.0000  0.4375  0.3864  1
  O  O4  4  0.0000  0.0346  0.9795  1
  O  O5  4  0.0000  0.2979  0.6896  1
  O  O6  4  0.0000  0.3376  0.0194  1
  O  O7  4  0.0000  0.3384  0.3776  1
  O  O8  4  0.0000  0.4963  0.7957  1
]