data_[Ca2Sm28Dy2]
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 [Amm2]
_cell_length_a [11.6618]
_cell_length_b [7.3846]
_cell_length_c [12.7693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaSm14Dy]
_chemical_formula_sum '[Ca2 Sm28 Dy2]'
_cell_volume [1099.6725]
_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  0.6663  1
  Sm  Sm1  8  0.2514  0.2460  0.0823  1
  Sm  Sm2  4  0.0000  0.2487  0.4155  1
  Sm  Sm3  4  0.2471  0.0000  0.3334  1
  Sm  Sm4  4  0.2524  0.0000  0.8362  1
  Sm  Sm5  4  0.5000  0.2497  0.4166  1
  Sm  Sm6  2  0.5000  0.0000  0.1672  1
  Sm  Sm7  2  0.5000  0.0000  0.6670  1
  Dy  Dy8  2  0.0000  0.0000  0.1671  1
]