data_[Pm4Dy20Sc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  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 [13.5798]
_cell_length_b [10.7041]
_cell_length_c [10.3971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmDy5Sc3]
_chemical_formula_sum '[Pm4 Dy20 Sc12]'
_cell_volume [1231.9518]
_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
[
  Pm  Pm0  4  0.2353  0.0000  0.3301  1
  Dy  Dy1  8  0.1014  0.7346  0.7368  1
  Dy  Dy2  4  0.0000  0.2793  0.0000  1
  Dy  Dy3  4  0.1532  0.0000  0.5926  1
  Dy  Dy4  4  0.1992  0.5000  0.0113  1
  Sc  Sc5  4  0.0270  0.0000  0.7628  1
  Sc  Sc6  4  0.0718  0.5000  0.2598  1
  Sc  Sc7  2  0.0000  0.0000  0.0000  1
  Sc  Sc8  2  0.0000  0.5000  0.5000  1
]