data_[Tl12Cd2In6]
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 [P2_1/m]
_cell_length_a [12.3965]
_cell_length_b [3.5168]
_cell_length_c [14.6501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl6CdIn3]
_chemical_formula_sum '[Tl12 Cd2 In6]'
_cell_volume [605.6381]
_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  0.1213  0.7500  0.4790  1.0
  Tl  Tl1  2  0.1944  0.2500  0.9095  1.0
  Tl  Tl2  2  0.2124  0.2500  0.2873  1.0
  Tl  Tl3  2  0.2636  0.2500  0.6934  1.0
  Tl  Tl4  2  0.3330  0.7500  0.1136  1.0
  Tl  Tl5  2  0.4898  0.2500  0.3069  1.0
  Cd  Cd6  2  0.0425  0.7500  0.7118  1.0
  In  In7  2  0.0641  0.7500  0.0952  1.0
  In  In8  2  0.3781  0.2500  0.4997  1.0
  In  In9  2  0.4247  0.7500  0.9032  1.0
]