data_[Tb1Al6Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.0748]
_cell_length_b [7.0748]
_cell_length_c [3.9868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Tb(Al3Cu2)2]
_chemical_formula_sum '[Tb1 Al6 Cu4]'
_cell_volume [172.8176]
_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  0.0000  1.0
  Al  Al1  3  0.0678  0.5339  0.0000  1.0
  Al  Al2  3  0.4017  0.2008  0.5000  1.0
  Cu  Cu3  3  0.2066  0.7934  0.5000  1.0
  Cu  Cu4  1  0.6667  0.3333  0.0000  1.0
]