data_[Sr16Li4Tl2]
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 [C2/m]
_cell_length_a [20.7532]
_cell_length_b [6.0358]
_cell_length_c [8.2293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9508]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Li2Tl]
_chemical_formula_sum '[Sr16 Li4 Tl2]'
_cell_volume [980.6468]
_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
[
  Sr  Sr0  4  0.0261  0.0000  0.7890  1.0
  Sr  Sr1  4  0.0920  0.5000  0.4397  1.0
  Sr  Sr2  4  0.1627  0.5000  0.9662  1.0
  Sr  Sr3  4  0.1996  0.0000  0.3053  1.0
  Li  Li4  4  0.1802  0.0000  0.7047  1.0
  Tl  Tl5  2  0.0000  0.5000  0.0000  1.0
]