data_[Tl5Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [9.9669]
_cell_length_b [15.0000]
_cell_length_c [11.2921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl5Sb6]
_chemical_formula_sum '[Tl5 Sb6]'
_cell_volume [1641.3905]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  1  0.0116  0.5000  0.2740  1
  Tl  Tl1  1  0.2892  0.5000  0.5407  1
  Tl  Tl2  1  0.4796  0.5000  0.9101  1
  Tl  Tl3  1  0.6346  0.5000  0.2005  1
  Tl  Tl4  1  0.9069  0.5000  0.5810  1
  Sb  Sb5  1  0.1241  0.5000  0.0174  1
  Sb  Sb6  1  0.1805  0.5000  0.7873  1
  Sb  Sb7  1  0.3328  0.5000  0.2634  1
  Sb  Sb8  1  0.5784  0.5000  0.4675  1
  Sb  Sb9  1  0.6760  0.5000  0.7339  1
  Sb  Sb10  1  0.8341  0.5000  0.9861  1
]