data_[Ta1Nb1Cu1Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3030]
_cell_length_b [3.3030]
_cell_length_c [5.9734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TaNbCuPd]
_chemical_formula_sum '[Ta1 Nb1 Cu1 Pd1]'
_cell_volume [65.1675]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8425  1.0
  Nb  Nb1  1  0.5000  0.5000  0.1296  1.0
  Cu  Cu2  1  0.0000  0.0000  0.3601  1.0
  Pd  Pd3  1  0.5000  0.5000  0.5957  1.0
]