data_[Tb6Pr16Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.7608]
_cell_length_b [8.7608]
_cell_length_c [11.6559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Tb3Pr8Mg]
_chemical_formula_sum '[Tb6 Pr16 Mg2]'
_cell_volume [894.6211]
_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  0.0000  0.5000  0.2500  1
  Tb  Tb1  2  0.0000  0.0000  0.5000  1
  Pr  Pr2  8  0.1273  0.1273  0.2510  1
  Pr  Pr3  8  0.2497  0.2497  0.5074  1
  Mg  Mg4  2  0.0000  0.0000  0.0000  1
]