data_[Ca2Tb2Dy2]
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
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6440]
_cell_length_b [3.6440]
_cell_length_c [15.6146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CaTbDy]
_chemical_formula_sum '[Ca2 Tb2 Dy2]'
_cell_volume [207.3380]
_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  0.0002  1.0
  Tb  Tb1  2  0.0000  0.0000  0.3235  1.0
  Dy  Dy2  2  0.0000  0.0000  0.6763  1.0
]