data_[Ba8Sr8Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2639]
_cell_length_b [14.9223]
_cell_length_c [9.0353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Sr2Tl]
_chemical_formula_sum '[Ba8 Sr8 Tl4]'
_cell_volume [1102.9695]
_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
[
  Ba  Ba0  8  0.0332  0.2820  0.7582  1.0
  Sr  Sr1  4  0.2314  0.0000  0.3815  1.0
  Sr  Sr2  4  0.2488  0.0000  0.8797  1.0
  Tl  Tl3  4  0.0000  0.1133  0.0000  1.0
]