data_[Tl2In6Ga1Sn1]
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
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9024]
_cell_length_b [6.6546]
_cell_length_c [7.5899]
_cell_angle_alpha [80.3560]
_cell_angle_beta [79.3615]
_cell_angle_gamma [82.0639]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2In6GaSn]
_chemical_formula_sum '[Tl2 In6 Ga1 Sn1]'
_cell_volume [287.0819]
_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  2  0.4493  0.0556  0.2364  1.0
  In  In1  2  0.0773  0.6535  0.7788  1.0
  In  In2  2  0.0904  0.1912  0.6007  1.0
  In  In3  2  0.3237  0.6183  0.1307  1.0
  Ga  Ga4  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn5  1  0.5000  0.5000  0.5000  1.0
]