data_[Tl2Cd12In4]
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 [10.7894]
_cell_length_b [10.0350]
_cell_length_c [4.5248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(Cd3In)2]
_chemical_formula_sum '[Tl2 Cd12 In4]'
_cell_volume [489.8027]
_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  0.0000  0.5000  1.0
  Cd  Cd1  8  0.2400  0.1535  0.7498  1.0
  Cd  Cd2  4  0.0000  0.2448  0.0000  1.0
  In  In3  4  0.1147  0.5000  0.7196  1.0
]