data_[Pr2Tm16Sc4]
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 [C2/m]
_cell_length_a [17.6893]
_cell_length_b [4.8647]
_cell_length_c [7.8271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(Tm4Sc)2]
_chemical_formula_sum '[Pr2 Tm16 Sc4]'
_cell_volume [649.4171]
_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  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm1  4  0.0477  0.0000  0.7248  1.0
  Tm  Tm2  4  0.0944  0.5000  0.4582  1.0
  Tm  Tm3  4  0.1401  0.0000  0.1908  1.0
  Tm  Tm4  4  0.1838  0.5000  0.9100  1.0
  Sc  Sc5  4  0.2280  0.0000  0.6339  1.0
]