data_[Tl4In2Sn4]
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 [P4/mbm]
_cell_length_a [7.7940]
_cell_length_b [7.7940]
_cell_length_c [5.2579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Tl2InSn2]
_chemical_formula_sum '[Tl4 In2 Sn4]'
_cell_volume [319.3967]
_cell_formula_units_Z [2]
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  4  0.1696  0.3304  0.5000  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1340  0.6340  0.0000  1.0
]