data_[Ta1Cu5Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.1967]
_cell_length_b [3.1967]
_cell_length_c [14.7182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TaCu5Au4]
_chemical_formula_sum '[Ta1 Cu5 Au4]'
_cell_volume [150.4045]
_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  0.0000  1
  Cu  Cu1  2  0.5000  0.5000  0.1012  1
  Cu  Cu2  2  0.5000  0.5000  0.3003  1
  Cu  Cu3  1  0.5000  0.5000  0.5000  1
  Au  Au4  2  0.0000  0.0000  0.1991  1
  Au  Au5  2  0.0000  0.0000  0.3998  1
]