data_[Ta2Nb2Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.8316]
_cell_length_b [4.7916]
_cell_length_c [7.9969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaNbAu]
_chemical_formula_sum '[Ta2 Nb2 Au2]'
_cell_volume [108.2059]
_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  0.1906  0.7500  0.5683  1.0
  Nb  Nb1  2  0.4896  0.2500  0.7630  1.0
  Au  Au2  2  0.0705  0.2500  0.0981  1.0
]