data_[Tl7In3Hg1]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.1661]
_cell_length_b [7.1661]
_cell_length_c [7.7195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tl7In3Hg]
_chemical_formula_sum '[Tl7 In3 Hg1]'
_cell_volume [343.3123]
_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  0.1604  0.3208  0.8972  1.0
  Tl  Tl1  3  0.3218  0.1609  0.5282  1.0
  Tl  Tl2  1  0.6667  0.3333  0.8806  1.0
  In  In3  3  0.0104  0.5052  0.2203  1.0
  Hg  Hg4  1  0.3333  0.6667  0.5673  1.0
]