data_[Ce4Dy20Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4388]
_cell_length_b [11.2374]
_cell_length_c [11.5507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeDy5Er3]
_chemical_formula_sum '[Ce4 Dy20 Er12]'
_cell_volume [1292.9346]
_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
[
  Ce  Ce0  4  0.0864  0.0000  0.8025  1
  Dy  Dy1  8  0.1399  0.2498  0.7579  1
  Dy  Dy2  4  0.0000  0.2785  0.0000  1
  Dy  Dy3  4  0.0147  0.5000  0.3826  1
  Dy  Dy4  4  0.1774  0.5000  0.9380  1
  Er  Er5  4  0.1675  0.5000  0.2276  1
  Er  Er6  4  0.2073  0.0000  0.3327  1
  Er  Er7  2  0.0000  0.0000  0.0000  1
  Er  Er8  2  0.0000  0.0000  0.5000  1
]