data_[Sr4Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [21.5883]
_cell_length_b [4.2660]
_cell_length_c [21.5883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTl2]
_chemical_formula_sum '[Sr4 Tl8]'
_cell_volume [1721.8348]
_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  2  0.0673  0.2500  0.3745  1
  Sr  Sr1  2  0.1442  0.2500  0.6118  1
  Tl  Tl2  2  0.0401  0.7500  0.4757  1
  Tl  Tl3  2  0.0648  0.2500  0.7203  1
  Tl  Tl4  2  0.0720  0.7500  0.8347  1
  Tl  Tl5  2  0.1909  0.7500  0.7567  1
]