data_[Pr16Tm2Sc4]
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 [5.5536]
_cell_length_b [8.5588]
_cell_length_c [15.7416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr8TmSc2]
_chemical_formula_sum '[Pr16 Tm2 Sc4]'
_cell_volume [748.2333]
_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  0.2028  0.3552  1
  Pr  Pr1  4  0.0000  0.0000  0.1583  1
  Pr  Pr2  4  0.0000  0.3018  0.0000  1
  Tm  Tm3  2  0.0000  0.5000  0.5000  1
  Sc  Sc4  4  0.0000  0.5000  0.2016  1
]