data_[Ca2Tb6Sm12Dy4]
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
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2823]
_cell_length_b [10.8644]
_cell_length_c [11.8961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTb3(Sm3Dy)2]
_chemical_formula_sum '[Ca2 Tb6 Sm12 Dy4]'
_cell_volume [799.5359]
_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  0.0000  1.0
  Tb  Tb1  4  0.0000  0.1661  0.5000  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  8  0.2455  0.3300  0.7476  1.0
  Sm  Sm4  4  0.2445  0.5000  0.2532  1.0
  Dy  Dy5  4  0.0000  0.3335  0.0000  1.0
]