data_[Dy12Er4Zr2Sc6]
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
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9704]
_cell_length_b [10.3057]
_cell_length_c [11.2974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6Er2ZrSc3]
_chemical_formula_sum '[Dy12 Er4 Zr2 Sc6]'
_cell_volume [684.3814]
_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  8  0.2491  0.1642  0.2535  1.0
  Dy  Dy1  4  0.2435  0.0000  0.7476  1.0
  Er  Er2  4  0.0000  0.3331  0.0000  1.0
  Zr  Zr3  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc4  4  0.0000  0.1666  0.5000  1.0
  Sc  Sc5  2  0.0000  0.5000  0.5000  1.0
]