data_[Yb3Tl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.5492]
_cell_length_b [18.3628]
_cell_length_c [18.3628]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [YbTl3]
_chemical_formula_sum '[Yb3 Tl9]'
_cell_volume [2496.5137]
_cell_formula_units_Z [3]
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
[
  Yb  Yb0  1  0.2345  0.0261  0.6809  1
  Yb  Yb1  1  0.6126  0.8044  0.4007  1
  Yb  Yb2  1  0.9240  0.9640  0.5170  1
  Tl  Tl3  1  0.0945  0.9826  0.3640  1
  Tl  Tl4  1  0.1358  0.1405  0.5901  1
  Tl  Tl5  1  0.2690  0.8959  0.4802  1
  Tl  Tl6  1  0.3827  0.8596  0.2929  1
  Tl  Tl7  1  0.4247  0.0688  0.4669  1
  Tl  Tl8  1  0.4662  0.1742  0.6909  1
  Tl  Tl9  1  0.5794  0.9760  0.5818  1
  Tl  Tl10  1  0.7132  0.9596  0.3614  1
  Tl  Tl11  1  0.7547  0.1481  0.5732  1
]