data_[Dy2Er2Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9389]
_cell_length_b [6.3562]
_cell_length_c [8.6892]
_cell_angle_alpha [72.3757]
_cell_angle_beta [89.9591]
_cell_angle_gamma [62.2917]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [DyErSc3]
_chemical_formula_sum '[Dy2 Er2 Sc6]'
_cell_volume [272.9234]
_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
[
  Dy  Dy0  2  0.4265  0.8047  0.4465  1.0
  Er  Er1  2  0.0378  0.5916  0.6602  1.0
  Sc  Sc2  2  0.1702  0.9933  0.7609  1.0
  Sc  Sc3  2  0.2372  0.1960  0.0477  1.0
  Sc  Sc4  2  0.3618  0.6019  0.1417  1.0
]