data_[Tb13Mg2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7001]
_cell_length_b [8.6128]
_cell_length_c [9.0005]
_cell_angle_alpha [65.8271]
_cell_angle_beta [79.7496]
_cell_angle_gamma [82.2485]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb13Mg2]
_chemical_formula_sum '[Tb13 Mg2]'
_cell_volume [465.1700]
_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  0.1259  0.4767  0.7460  1
  Tb  Tb1  2  0.1959  0.2314  0.1561  1
  Tb  Tb2  2  0.2508  0.9412  0.5764  1
  Tb  Tb3  2  0.3075  0.6606  0.9740  1
  Tb  Tb4  2  0.3708  0.4111  0.3919  1
  Tb  Tb5  2  0.4907  0.1376  0.7971  1
  Tb  Tb6  1  0.0000  0.0000  0.0000  1
  Mg  Mg7  2  0.0607  0.7566  0.3849  1
]