data_[Tl6In2Pd14]
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 [8.9382]
_cell_length_b [9.7343]
_cell_length_c [5.4569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3InPd7]
_chemical_formula_sum '[Tl6 In2 Pd14]'
_cell_volume [433.1328]
_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  4  0.0000  0.2234  0.0000  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  In  In2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  8  0.1695  0.2498  0.6739  1
  Pd  Pd4  4  0.2049  0.0000  0.0428  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]