data_[Tl7Bi1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [8.5903]
_cell_length_b [8.5903]
_cell_length_c [18.4136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Tl7Bi]
_chemical_formula_sum '[Tl7 Bi1]'
_cell_volume [1176.7448]
_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  0.2051  0.4102  0.4992  1
  Tl  Tl1  1  0.0000  0.0000  0.5950  1
  Bi  Bi2  1  0.0000  0.0000  0.4096  1
]