data_[Ba12Sr2Tl2]
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 [9.0889]
_cell_length_b [14.6711]
_cell_length_c [8.1311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6SrTl]
_chemical_formula_sum '[Ba12 Sr2 Tl2]'
_cell_volume [932.3664]
_cell_formula_units_Z [2]
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  0.2248  0.7112  0.7429  1
  Ba  Ba1  4  0.2338  0.5000  0.2856  1
  Sr  Sr2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
]