data_[Tb4Y16Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3237]
_cell_length_b [5.4908]
_cell_length_c [6.4779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Y8Al]
_chemical_formula_sum '[Tb4 Y16 Al2]'
_cell_volume [685.6151]
_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  4  0.2422  0.0000  0.3354  1.0
  Y  Y1  4  0.0427  0.0000  0.2533  1.0
  Y  Y2  4  0.0775  0.5000  0.6052  1.0
  Y  Y3  4  0.1551  0.0000  0.8093  1.0
  Y  Y4  4  0.1575  0.5000  0.1261  1.0
  Al  Al5  2  0.0000  0.5000  0.0000  1.0
]