data_[Tl4Cd2In4Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.0009]
_cell_length_b [10.2950]
_cell_length_c [6.7534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tl2CdIn2Sn]
_chemical_formula_sum '[Tl4 Cd2 In4 Sn2]'
_cell_volume [347.6922]
_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  2  0.0000  0.1664  0.3427  1.0
  Tl  Tl1  2  0.5000  0.0246  0.0398  1.0
  Cd  Cd2  2  0.0000  0.4910  0.5527  1.0
  In  In3  2  0.0000  0.2086  0.8511  1.0
  In  In4  2  0.5000  0.3531  0.1395  1.0
  Sn  Sn5  2  0.5000  0.3162  0.6198  1.0
]