data_[Sr2Tl8]
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 [P-1]
_cell_length_a [5.0862]
_cell_length_b [6.6459]
_cell_length_c [10.9461]
_cell_angle_alpha [95.3365]
_cell_angle_beta [101.6043]
_cell_angle_gamma [112.0774]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrTl4]
_chemical_formula_sum '[Sr2 Tl8]'
_cell_volume [330.0188]
_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  0.4488  0.6019  0.2955  1.0
  Tl  Tl1  2  0.1330  0.2957  0.9593  1.0
  Tl  Tl2  2  0.1519  0.7548  0.5423  1.0
  Tl  Tl3  2  0.1684  0.0219  0.3144  1.0
  Tl  Tl4  2  0.3424  0.8280  0.8636  1.0
]