data_[Tb4Cu1Au3]
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 [Pmm2]
_cell_length_a [3.7673]
_cell_length_b [4.6308]
_cell_length_c [10.9241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb4CuAu3]
_chemical_formula_sum '[Tb4 Cu1 Au3]'
_cell_volume [190.5775]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.1367  1.0
  Tb  Tb1  1  0.0000  0.5000  0.8653  1.0
  Tb  Tb2  1  0.5000  0.0000  0.6404  1.0
  Tb  Tb3  1  0.5000  0.5000  0.3561  1.0
  Cu  Cu4  1  0.5000  0.5000  0.0804  1.0
  Au  Au5  1  0.0000  0.0000  0.4114  1.0
  Au  Au6  1  0.0000  0.5000  0.5886  1.0
  Au  Au7  1  0.5000  0.0000  0.9211  1.0
]