data_[Ca2Sm16Dy4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [18.5114]
_cell_length_b [5.1332]
_cell_length_c [8.1203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(Sm4Dy)2]
_chemical_formula_sum '[Ca2 Sm16 Dy4]'
_cell_volume [744.7620]
_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  0.5000  0.0000  1
  Sm  Sm1  4  0.0471  0.0000  0.7192  1
  Sm  Sm2  4  0.0927  0.5000  0.4614  1
  Sm  Sm3  4  0.1406  0.0000  0.1903  1
  Sm  Sm4  4  0.1844  0.5000  0.9097  1
  Dy  Dy5  4  0.2272  0.0000  0.6369  1
]