data_[Tl6Ga3Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7731]
_cell_length_b [4.7731]
_cell_length_c [18.5343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl2GaSn]
_chemical_formula_sum '[Tl6 Ga3 Sn3]'
_cell_volume [365.6916]
_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
[
  Tl  Tl0  3  0.0000  0.0000  0.6887  1.0
  Tl  Tl1  3  0.0000  0.0000  0.9100  1.0
  Ga  Ga2  3  0.0000  0.0000  0.4902  1.0
  Sn  Sn3  3  0.0000  0.0000  0.1196  1.0
]