data_[Pr8Y16Tm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3036]
_cell_length_b [11.7135]
_cell_length_c [6.1884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2Y4Tm3]
_chemical_formula_sum '[Pr8 Y16 Tm12]'
_cell_volume [1173.7801]
_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
[
  Pr  Pr0  8  0.1211  0.3530  0.8218  1.0
  Y  Y1  8  0.0476  0.1403  0.5146  1.0
  Y  Y2  8  0.2156  0.3630  0.3487  1.0
  Tm  Tm3  8  0.1652  0.0991  0.0928  1.0
  Tm  Tm4  4  0.0000  0.4025  0.2500  1.0
]