data_[Sr2Al2Tl4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5945]
_cell_length_b [10.2708]
_cell_length_c [7.9518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [SrAl(TlSb)2]
_chemical_formula_sum '[Sr2 Al2 Tl4 Sb4]'
_cell_volume [375.2335]
_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  0.0000  0.4100  0.5171  1
  Al  Al1  2  0.5000  0.3404  0.1657  1
  Tl  Tl2  2  0.0000  0.1556  0.8130  1
  Tl  Tl3  2  0.5000  0.0504  0.5150  1
  Sb  Sb4  2  0.0000  0.1869  0.2137  1
  Sb  Sb5  2  0.5000  0.4119  0.8211  1
]