data_[Dy2Ho2Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9436]
_cell_length_b [6.3659]
_cell_length_c [8.7096]
_cell_angle_alpha [72.3507]
_cell_angle_beta [89.9067]
_cell_angle_gamma [62.3343]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [DyHoSc3]
_chemical_formula_sum '[Dy2 Ho2 Sc6]'
_cell_volume [274.3199]
_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  0.0740  0.1953  0.0537  1.0
  Ho  Ho1  2  0.4622  0.4084  0.8394  1.0
  Sc  Sc2  2  0.1384  0.3979  0.3586  1.0
  Sc  Sc3  2  0.2626  0.8044  0.4524  1.0
  Sc  Sc4  2  0.3293  0.0071  0.7386  1.0
]