data_[Pr16Tm2Sc6]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.8531]
_cell_length_b [10.8144]
_cell_length_c [11.5910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr8TmSc3]
_chemical_formula_sum '[Pr16 Tm2 Sc6]'
_cell_volume [859.0427]
_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  8  0.0000  0.1634  0.2514  1
  Pr  Pr1  8  0.2232  0.2869  0.0000  1
  Tm  Tm2  2  0.0000  0.0000  0.0000  1
  Sc  Sc3  4  0.0000  0.5000  0.2139  1
  Sc  Sc4  2  0.0000  0.0000  0.5000  1
]