data_[Tl10Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.3476]
_cell_length_b [8.3476]
_cell_length_c [19.5596]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Tl5Pd2]
_chemical_formula_sum '[Tl10 Pd4]'
_cell_volume [1180.3513]
_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  6  0.2079  0.7893  0.5625  1
  Tl  Tl1  3  0.0000  0.3194  0.4011  1
  Tl  Tl2  1  0.0000  0.0000  0.6342  1
  Pd  Pd3  3  0.0000  0.6528  0.4382  1
  Pd  Pd4  1  0.0000  0.0000  0.4728  1
]