data_[Ta2Pd2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1396]
_cell_length_b [3.7821]
_cell_length_c [6.6234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaPdAu2]
_chemical_formula_sum '[Ta2 Pd2 Au4]'
_cell_volume [138.7329]
_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
[
  Ta  Ta0  2  0.2917  0.7500  0.3783  1.0
  Pd  Pd1  2  0.1814  0.2500  0.6085  1.0
  Au  Au2  2  0.0711  0.7500  0.8792  1.0
  Au  Au3  2  0.4481  0.2500  0.1458  1.0
]