data_[Ba16Sr4Tl4]
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/c]
_cell_length_a [11.2837]
_cell_length_b [16.1544]
_cell_length_c [7.8114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4SrTl]
_chemical_formula_sum '[Ba16 Sr4 Tl4]'
_cell_volume [1355.6127]
_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  0.1075  0.1680  0.0503  1.0
  Ba  Ba1  8  0.2375  0.4022  0.3814  1.0
  Sr  Sr2  4  0.0000  0.3938  0.7500  1.0
  Tl  Tl3  4  0.0000  0.0004  0.7500  1.0
]