data_[Pr8Y8Tm20]
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 [Ima2]
_cell_length_a [14.9124]
_cell_length_b [11.8136]
_cell_length_c [6.6851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Pr2Y2Tm5]
_chemical_formula_sum '[Pr8 Y8 Tm20]'
_cell_volume [1177.7052]
_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  4  0.0000  0.0000  0.9915  1
  Pr  Pr1  4  0.2500  0.5106  0.3961  1
  Y  Y2  8  0.1262  0.0063  0.4434  1
  Tm  Tm3  8  0.0532  0.2408  0.7936  1
  Tm  Tm4  8  0.1416  0.7353  0.6001  1
  Tm  Tm5  4  0.2500  0.2497  0.1021  1
]