data_[Ta4Cu12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.3254]
_cell_length_b [2.7759]
_cell_length_c [16.8262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TaCu3Pd2]
_chemical_formula_sum '[Ta4 Cu12 Pd8]'
_cell_volume [342.1475]
_cell_formula_units_Z [4]
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
[
  Ta  Ta0  4  0.0183  0.2500  0.1694  1
  Cu  Cu1  4  0.0609  0.2500  0.4393  1
  Cu  Cu2  4  0.1225  0.7500  0.6868  1
  Cu  Cu3  4  0.2391  0.2500  0.5741  1
  Pd  Pd4  4  0.1293  0.2500  0.9529  1
  Pd  Pd5  4  0.1883  0.7500  0.2992  1
]