data_[Ba10Sr4Li2Tl4]
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
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [14.9912]
_cell_length_b [14.9912]
_cell_length_c [4.4647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ba5Sr2LiTl2]
_chemical_formula_sum '[Ba10 Sr4 Li2 Tl4]'
_cell_volume [1003.3805]
_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  0.0513  0.2032  0.5000  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Sr  Sr2  4  0.1899  0.6899  0.0000  1.0
  Li  Li3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  4  0.1364  0.3636  0.0000  1.0
]