data_[Pr12Tm2Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0388]
_cell_length_b [3.7947]
_cell_length_c [12.0763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6TmAl2]
_chemical_formula_sum '[Pr12 Tm2 Al4]'
_cell_volume [564.8889]
_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
[
  Pr  Pr0  4  0.0296  0.0000  0.3257  1
  Pr  Pr1  4  0.1810  0.5000  0.8778  1
  Pr  Pr2  4  0.1907  0.5000  0.5956  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  Al  Al4  4  0.1465  0.5000  0.1877  1
]