data_[Ba1Sr5Tl4]
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 [P4/mmm]
_cell_length_a [4.1248]
_cell_length_b [4.1248]
_cell_length_c [23.0726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [BaSr5Tl4]
_chemical_formula_sum '[Ba1 Sr5 Tl4]'
_cell_volume [392.5613]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Sr  Sr1  2  0.5000  0.5000  0.1481  1
  Sr  Sr2  2  0.5000  0.5000  0.3219  1
  Sr  Sr3  1  0.5000  0.5000  0.5000  1
  Tl  Tl4  2  0.0000  0.0000  0.2313  1
  Tl  Tl5  2  0.0000  0.0000  0.4112  1
]