data_[Ce1Tl2Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0358]
_cell_length_b [5.0948]
_cell_length_c [7.7369]
_cell_angle_alpha [93.2042]
_cell_angle_beta [96.2955]
_cell_angle_gamma [98.0784]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce(TlPd4)2]
_chemical_formula_sum '[Ce1 Tl2 Pd8]'
_cell_volume [194.8324]
_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
[
  Ce  Ce0  1  0.0000  0.5000  0.0000  1
  Tl  Tl1  2  0.1899  0.9036  0.7113  1
  Pd  Pd2  2  0.0975  0.6604  0.3594  1
  Pd  Pd3  2  0.2750  0.0348  0.0936  1
  Pd  Pd4  2  0.3662  0.2362  0.4529  1
  Pd  Pd5  2  0.4512  0.4306  0.8162  1
]