data_[Tl2Cu8Pd14]
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 [C2/m]
_cell_length_a [10.1986]
_cell_length_b [4.9099]
_cell_length_c [9.3179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCu4Pd7]
_chemical_formula_sum '[Tl2 Cu8 Pd14]'
_cell_volume [397.2061]
_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
  Cu  Cu1  4  0.0659  0.5000  0.7649  1
  Cu  Cu2  4  0.2210  0.5000  0.3170  1
  Pd  Pd3  4  0.0427  0.0000  0.3819  1
  Pd  Pd4  4  0.1588  0.5000  0.5572  1
  Pd  Pd5  4  0.2109  0.0000  0.9169  1
  Pd  Pd6  2  0.0000  0.5000  0.0000  1
]