data_[Nd4Sm8Er20]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3018]
_cell_length_b [9.8614]
_cell_length_c [6.4534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdSm2Er5]
_chemical_formula_sum '[Nd4 Sm8 Er20]'
_cell_volume [1028.5328]
_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  4  0.2500  0.2500  0.0000  1
  Sm  Sm1  8  0.0760  0.2538  0.1128  1
  Er  Er2  8  0.0991  0.4097  0.6411  1
  Er  Er3  8  0.1950  0.0898  0.5194  1
  Er  Er4  4  0.0000  0.0561  0.7500  1
]