data_[Sr4Li2Tl6]
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 [Cm]
_cell_length_a [12.0213]
_cell_length_b [5.1216]
_cell_length_c [8.0902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.0171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr2LiTl3]
_chemical_formula_sum '[Sr4 Li2 Tl6]'
_cell_volume [370.0611]
_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  2  0.0421  0.5000  0.2912  1
  Sr  Sr1  2  0.4614  0.0000  0.7193  1
  Li  Li2  2  0.3306  0.5000  0.2709  1
  Tl  Tl3  2  0.1420  0.0000  0.6842  1
  Tl  Tl4  2  0.1832  0.0000  0.1363  1
  Tl  Tl5  2  0.3408  0.5000  0.8980  1
]