data_[Dy8Y12Zr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [8.7909]
_cell_length_b [8.7909]
_cell_length_c [8.8675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [Dy4Y6Zr]
_chemical_formula_sum '[Dy8 Y12 Zr2]'
_cell_volume [685.2796]
_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  0.1447  0.6447  0.2500  1
  Y  Y1  8  0.1513  0.3432  0.5000  1
  Y  Y2  4  0.0000  0.0000  0.1763  1
  Zr  Zr3  2  0.0000  0.0000  0.5000  1
]