data_[Tl7In2Sn3]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5473]
_cell_length_b [3.3178]
_cell_length_c [16.4509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl7In2Sn3]
_chemical_formula_sum '[Tl7 In2 Sn3]'
_cell_volume [356.7700]
_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  0.2294  0.5000  0.1715  1
  Tl  Tl1  2  0.2511  0.5000  0.4919  1
  Tl  Tl2  2  0.2766  0.0000  0.8350  1
  Tl  Tl3  1  0.0000  0.0000  0.0000  1
  In  In4  2  0.0574  0.5000  0.6708  1
  Sn  Sn5  2  0.4706  0.0000  0.3368  1
  Sn  Sn6  1  0.5000  0.5000  0.0000  1
]