data_[Ta4Cu4Pd20]
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 [C2/c]
_cell_length_a [9.2668]
_cell_length_b [5.7537]
_cell_length_c [9.2236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TaCuPd5]
_chemical_formula_sum '[Ta4 Cu4 Pd20]'
_cell_volume [464.9316]
_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  0.0000  0.1140  0.7500  1
  Cu  Cu1  4  0.2500  0.2500  0.5000  1
  Pd  Pd2  8  0.1026  0.3368  0.9872  1
  Pd  Pd3  8  0.2497  0.0709  0.2346  1
  Pd  Pd4  4  0.0000  0.3238  0.2500  1
]