data_[Dy3Ho3Sc6]
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 [R3m]
_cell_length_a [3.4431]
_cell_length_b [3.4431]
_cell_length_c [32.6350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [DyHoSc2]
_chemical_formula_sum '[Dy3 Ho3 Sc6]'
_cell_volume [335.0622]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3337  1.0
  Ho  Ho1  3  0.0000  0.0000  0.4996  1.0
  Sc  Sc2  3  0.0000  0.0000  0.7503  1.0
  Sc  Sc3  3  0.0000  0.0000  0.9164  1.0
]