data_[Nd4Sm4Ho8Er16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2647]
_cell_length_b [7.0777]
_cell_length_c [12.2462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSm(HoEr2)2]
_chemical_formula_sum '[Nd4 Sm4 Ho8 Er16]'
_cell_volume [1001.3970]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Sm  Sm2  4  0.2500  0.2500  0.5000  1.0
  Ho  Ho3  4  0.2500  0.2500  0.0000  1.0
  Ho  Ho4  2  0.0000  0.5000  0.0000  1.0
  Ho  Ho5  2  0.0000  0.5000  0.5000  1.0
  Er  Er6  8  0.0006  0.2508  0.7514  1.0
  Er  Er7  4  0.2491  0.5000  0.2478  1.0
  Er  Er8  4  0.2499  0.5000  0.7509  1.0
]