data_[Pr8Tm4Sc16]
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]
_cell_length_a [16.0008]
_cell_length_b [5.5582]
_cell_length_c [11.6510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.2163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Pr2TmSc4]
_chemical_formula_sum '[Pr8 Tm4 Sc16]'
_cell_volume [802.8006]
_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  0.2203  0.6941  0.3753  1.0
  Pr  Pr1  2  0.0000  0.2319  0.5000  1.0
  Pr  Pr2  2  0.0000  0.6301  0.0000  1.0
  Tm  Tm3  4  0.2185  0.1184  0.8779  1.0
  Sc  Sc4  4  0.0433  0.1341  0.2501  1.0
  Sc  Sc5  4  0.0674  0.6270  0.7699  1.0
  Sc  Sc6  4  0.1320  0.7337  0.5674  1.0
  Sc  Sc7  4  0.1640  0.1250  0.1045  1.0
]