data_[Tl9In7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [8.7023]
_cell_length_b [8.7023]
_cell_length_c [20.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Tl9In7]
_chemical_formula_sum '[Tl9 In7]'
_cell_volume [1320.4324]
_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  6  0.1438  0.7222  0.3903  1
  Tl  Tl1  2  0.3333  0.6667  0.6441  1
  Tl  Tl2  1  0.0000  0.0000  0.6453  1
  In  In3  6  0.0169  0.3426  0.5452  1
  In  In4  1  0.0000  0.0000  0.4537  1
]