data_[Tb3Ho2Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1270]
_cell_length_b [5.1270]
_cell_length_c [9.7209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tb3(HoAl2)2]
_chemical_formula_sum '[Tb3 Ho2 Al4]'
_cell_volume [221.2926]
_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  2  0.3333  0.6667  0.4180  1.0
  Tb  Tb1  1  0.0000  0.0000  0.0000  1.0
  Ho  Ho2  2  0.3333  0.6667  0.7819  1.0
  Al  Al3  2  0.0000  0.0000  0.3512  1.0
  Al  Al4  2  0.3333  0.6667  0.0987  1.0
]