data_[Tl2Cu10Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.3267]
_cell_length_b [13.0121]
_cell_length_c [6.2206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TlCu5Pd6]
_chemical_formula_sum '[Tl2 Cu10 Pd12]'
_cell_volume [350.2143]
_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  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  4  0.0000  0.3300  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3346  0.5000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  8  0.0000  0.1715  0.2589  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2656  1.0
]