data_[Ca4Tb4Nd8Dy16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5345]
_cell_length_b [7.2101]
_cell_length_c [12.5184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTb(NdDy2)2]
_chemical_formula_sum '[Ca4 Tb4 Nd8 Dy16]'
_cell_volume [1065.8068]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.5000  1.0
  Tb  Tb1  2  0.0000  0.0000  0.0000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.5000  1.0
  Nd  Nd3  4  0.2500  0.2500  0.0000  1.0
  Nd  Nd4  2  0.0000  0.5000  0.0000  1.0
  Nd  Nd5  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy6  8  0.0028  0.2497  0.7507  1.0
  Dy  Dy7  4  0.2493  0.0000  0.7549  1.0
  Dy  Dy8  4  0.2499  0.5000  0.7565  1.0
]