data_[Tb12Pr16Tm8]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [9.8394]
_cell_length_b [17.1480]
_cell_length_c [7.1171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Tb3(Pr2Tm)2]
_chemical_formula_sum '[Tb12 Pr16 Tm8]'
_cell_volume [1200.8363]
_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  8  0.0000  0.1722  0.2500  1.0
  Tb  Tb1  4  0.0000  0.5000  0.2500  1.0
  Pr  Pr2  8  0.1646  0.0105  0.0000  1.0
  Pr  Pr3  8  0.1809  0.3379  0.5000  1.0
  Tm  Tm4  8  0.1543  0.3286  0.0000  1.0
]