data_[Tl2In2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9869]
_cell_length_b [8.6711]
_cell_length_c [4.9744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlInPd4]
_chemical_formula_sum '[Tl2 In2 Pd8]'
_cell_volume [208.4431]
_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  0.5000  0.5000  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  4  0.0000  0.1646  0.5000  1.0
  Pd  Pd3  4  0.0000  0.3332  0.0000  1.0
]