data_[Sr12Li4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [7.4886]
_cell_length_b [9.6615]
_cell_length_c [10.9210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr3LiTl]
_chemical_formula_sum '[Sr12 Li4 Tl4]'
_cell_volume [790.1502]
_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
[
  Sr  Sr0  4  0.2520  0.5519  0.8268  1.0
  Sr  Sr1  4  0.2586  0.5462  0.4134  1.0
  Sr  Sr2  4  0.2755  0.1876  0.6239  1.0
  Li  Li3  4  0.0612  0.7054  0.1208  1.0
  Tl  Tl4  4  0.4404  0.7064  0.1251  1.0
]