data_[Tl1Ga1Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7801]
_cell_length_b [5.2772]
_cell_length_c [5.4390]
_cell_angle_alpha [92.3889]
_cell_angle_beta [91.9231]
_cell_angle_gamma [98.8419]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlGaPd6]
_chemical_formula_sum '[Tl1 Ga1 Pd6]'
_cell_volume [135.3414]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.5000  1
  Ga  Ga1  1  0.0000  0.0000  0.0000  1
  Pd  Pd2  2  0.0142  0.4233  0.7563  1
  Pd  Pd3  2  0.2378  0.9417  0.6037  1
  Pd  Pd4  2  0.4931  0.7474  0.0065  1
]