data_[Tb2Pr6Mg12]
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 [P2_1/m]
_cell_length_a [9.4987]
_cell_length_b [5.3513]
_cell_length_c [11.4475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(PrMg2)3]
_chemical_formula_sum '[Tb2 Pr6 Mg12]'
_cell_volume [561.5053]
_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  0.0495  0.2500  0.3980  1
  Pr  Pr1  2  0.2436  0.2500  0.9938  1
  Pr  Pr2  2  0.3499  0.7500  0.7891  1
  Pr  Pr3  2  0.4634  0.2500  0.6051  1
  Mg  Mg4  2  0.0451  0.7500  0.8963  1
  Mg  Mg5  2  0.1349  0.2500  0.6940  1
  Mg  Mg6  2  0.1447  0.7500  0.1909  1
  Mg  Mg7  2  0.2345  0.7500  0.4843  1
  Mg  Mg8  2  0.3303  0.2500  0.2917  1
  Mg  Mg9  2  0.4386  0.7500  0.0967  1
]