data_[Tb2Mg2Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5210]
_cell_length_b [5.5210]
_cell_length_c [8.9095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [TbMgAl4]
_chemical_formula_sum '[Tb2 Mg2 Al8]'
_cell_volume [235.1872]
_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  0.3333  0.6667  0.5705  1.0
  Mg  Mg1  2  0.3333  0.6667  0.9439  1.0
  Al  Al2  6  0.1699  0.3399  0.2475  1.0
  Al  Al3  1  0.0000  0.0000  0.0000  1.0
  Al  Al4  1  0.0000  0.0000  0.5000  1.0
]