data_[Ca2Nd2Dy4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2919]
_cell_length_b [6.2919]
_cell_length_c [12.6003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [CaNd(DySb2)2]
_chemical_formula_sum '[Ca2 Nd2 Dy4 Sb8]'
_cell_volume [498.8259]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.5000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Dy  Dy2  4  0.0000  0.5000  0.2500  1.0
  Sb  Sb3  4  0.0000  0.0000  0.2490  1.0
  Sb  Sb4  4  0.0000  0.5000  0.0000  1.0
]