data_[Ba12Sr12Tl8]
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 [Cmcm]
_cell_length_a [5.8241]
_cell_length_b [13.7866]
_cell_length_c [19.5577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba3Sr3Tl2]
_chemical_formula_sum '[Ba12 Sr12 Tl8]'
_cell_volume [1570.3859]
_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  0.0000  0.0570  0.6162  1.0
  Ba  Ba1  4  0.0000  0.3581  0.7500  1.0
  Sr  Sr2  8  0.0000  0.3453  0.5304  1.0
  Sr  Sr3  4  0.0000  0.3359  0.2500  1.0
  Tl  Tl4  8  0.0000  0.1987  0.1154  1.0
]