data_[Tl3Bi6Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4589]
_cell_length_b [4.4589]
_cell_length_c [21.2528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TlBi2Pd]
_chemical_formula_sum '[Tl3 Bi6 Pd3]'
_cell_volume [365.9270]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4967  1.0
  Bi  Bi1  3  0.0000  0.0000  0.7235  1.0
  Bi  Bi2  3  0.0000  0.0000  0.9446  1.0
  Pd  Pd3  3  0.0000  0.0000  0.3351  1.0
]