data_[Tl16Cd4In4]
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 [20.4691]
_cell_length_b [4.9079]
_cell_length_c [7.3425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl4CdIn]
_chemical_formula_sum '[Tl16 Cd4 In4]'
_cell_volume [732.6995]
_cell_formula_units_Z [4]
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  0.0270  0.0000  0.7470  1.0
  Tl  Tl1  4  0.0741  0.5000  0.1372  1.0
  Tl  Tl2  4  0.1458  0.5000  0.7178  1.0
  Tl  Tl3  4  0.1919  0.0000  0.0254  1.0
  Cd  Cd4  4  0.2302  0.5000  0.3482  1.0
  In  In5  4  0.1336  0.0000  0.4240  1.0
]