data_[Tl2Cd2In2]
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 [Pm]
_cell_length_a [3.6720]
_cell_length_b [5.4216]
_cell_length_c [8.5120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlCdIn]
_chemical_formula_sum '[Tl2 Cd2 In2]'
_cell_volume [167.8297]
_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  1  0.3356  0.5000  0.3951  1.0
  Tl  Tl1  1  0.8699  0.0000  0.5088  1.0
  Cd  Cd2  1  0.5011  0.0000  0.8228  1.0
  Cd  Cd3  1  0.9768  0.5000  0.7376  1.0
  In  In4  1  0.1332  0.0000  0.1435  1.0
  In  In5  1  0.6060  0.5000  0.0411  1.0
]