data_[Tb1Gd1Al6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Gd  1.2000  1.8000  1.0750
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.3006]
_cell_length_b [6.3006]
_cell_length_c [4.6195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [TbGdAl6]
_chemical_formula_sum '[Tb1 Gd1 Al6]'
_cell_volume [158.8146]
_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  0.5000  1.0
  Gd  Gd1  1  0.3333  0.6667  0.0000  1.0
  Al  Al2  3  0.3735  0.1867  0.0000  1.0
  Al  Al3  3  0.5198  0.0397  0.5000  1.0
]