data_[Tb8Pr12Mg4]
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 [C2/m]
_cell_length_a [21.1070]
_cell_length_b [3.7358]
_cell_length_c [11.7215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Pr3Mg]
_chemical_formula_sum '[Tb8 Pr12 Mg4]'
_cell_volume [791.4161]
_cell_formula_units_Z [4]
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  0.0579  0.0000  0.9325  1.0
  Tb  Tb1  4  0.2209  0.5000  0.0881  1.0
  Pr  Pr2  4  0.0732  0.0000  0.4212  1.0
  Pr  Pr3  4  0.1054  0.5000  0.7242  1.0
  Pr  Pr4  4  0.2476  0.5000  0.6287  1.0
  Mg  Mg5  4  0.0960  0.5000  0.1984  1.0
]