data_[Pr8Dy12Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9235]
_cell_length_b [5.6505]
_cell_length_c [9.6634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Dy3Sc]
_chemical_formula_sum '[Pr8 Dy12 Sc4]'
_cell_volume [761.2614]
_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  0.0026  0.5000  0.1632  1.0
  Pr  Pr1  4  0.2482  0.5000  0.4260  1.0
  Dy  Dy2  4  0.0006  0.0000  0.3305  1.0
  Dy  Dy3  4  0.1249  0.5000  0.6337  1.0
  Dy  Dy4  4  0.2475  0.5000  0.0878  1.0
  Sc  Sc5  4  0.1232  0.0000  0.1135  1.0
]