data_[Tl4Cd4In4]
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 [Cm]
_cell_length_a [16.5538]
_cell_length_b [3.5433]
_cell_length_c [5.8898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlCdIn]
_chemical_formula_sum '[Tl4 Cd4 In4]'
_cell_volume [335.1365]
_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  2  0.2789  0.5000  0.8849  1.0
  Tl  Tl1  2  0.4197  0.5000  0.4620  1.0
  Cd  Cd2  2  0.0909  0.5000  0.4292  1.0
  Cd  Cd3  2  0.4512  0.0000  0.9824  1.0
  In  In4  2  0.1021  0.0000  0.8956  1.0
  In  In5  2  0.2422  0.0000  0.3642  1.0
]