data_[Sr2Tl12Sb6]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.6882]
_cell_length_b [4.8326]
_cell_length_c [12.7456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr(Tl2Sb)3]
_chemical_formula_sum '[Sr2 Tl12 Sb6]'
_cell_volume [673.7636]
_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  0.0214  0.2500  0.7757  1
  Tl  Tl1  2  0.0982  0.2500  0.4752  1
  Tl  Tl2  2  0.1985  0.7500  0.6767  1
  Tl  Tl3  2  0.2399  0.7500  0.9562  1
  Tl  Tl4  2  0.2865  0.7500  0.2183  1
  Tl  Tl5  2  0.4351  0.2500  0.6010  1
  Tl  Tl6  2  0.4537  0.2500  0.1191  1
  Sb  Sb7  2  0.0705  0.2500  0.0637  1
  Sb  Sb8  2  0.2702  0.7500  0.4581  1
  Sb  Sb9  2  0.3462  0.2500  0.8331  1
]