data_[Tl7Bi3Sb1]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.8728]
_cell_length_b [6.8728]
_cell_length_c [9.1080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tl7Bi3Sb]
_chemical_formula_sum '[Tl7 Bi3 Sb1]'
_cell_volume [372.5833]
_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  3  0.3400  0.1700  0.1174  1.0
  Tl  Tl1  3  0.5003  0.0007  0.4601  1.0
  Tl  Tl2  1  0.3333  0.6667  0.0973  1.0
  Bi  Bi3  3  0.1546  0.3092  0.7912  1.0
  Sb  Sb4  1  0.0000  0.0000  0.4118  1.0
]