data_[Dy2Zr6Sc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9696]
_cell_length_b [3.2188]
_cell_length_c [13.1345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Dy(ZrSc2)3]
_chemical_formula_sum '[Dy2 Zr6 Sc12]'
_cell_volume [499.0537]
_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  0.0383  0.7500  0.7237  1.0
  Zr  Zr1  2  0.0753  0.7500  0.0949  1.0
  Zr  Zr2  2  0.3826  0.2500  0.4976  1.0
  Zr  Zr3  2  0.4263  0.7500  0.9044  1.0
  Sc  Sc4  2  0.1341  0.7500  0.4886  1.0
  Sc  Sc5  2  0.1948  0.2500  0.9293  1.0
  Sc  Sc6  2  0.2228  0.2500  0.2857  1.0
  Sc  Sc7  2  0.2792  0.2500  0.7039  1.0
  Sc  Sc8  2  0.3472  0.7500  0.1168  1.0
  Sc  Sc9  2  0.4999  0.7500  0.6885  1.0
]