data_[Tb4Cu2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7207]
_cell_length_b [4.5929]
_cell_length_c [7.4599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb2CuAu]
_chemical_formula_sum '[Tb4 Cu2 Au2]'
_cell_volume [183.3787]
_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
[
  Tb  Tb0  2  0.2129  0.7500  0.9273  1.0
  Tb  Tb1  2  0.2289  0.7500  0.4282  1.0
  Cu  Cu2  2  0.3449  0.2500  0.2044  1.0
  Au  Au3  2  0.3382  0.2500  0.7120  1.0
]