data_[Tl10Cd2In12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4712]
_cell_length_b [10.5866]
_cell_length_c [5.8003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5CdIn6]
_chemical_formula_sum '[Tl10 Cd2 In12]'
_cell_volume [677.5287]
_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  0.0000  0.1640  0.5000  1
  Tl  Tl1  4  0.0000  0.3307  0.0000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  In  In4  8  0.2449  0.1633  0.2474  1
  In  In5  4  0.2498  0.0000  0.7548  1
]