data_[Nd4Ho12Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [16.7462]
_cell_length_b [7.9157]
_cell_length_c [12.1346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdHo3Er5]
_chemical_formula_sum '[Nd4 Ho12 Er20]'
_cell_volume [1222.0363]
_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  0.2366  0.0000  0.1313  1
  Ho  Ho1  4  0.1208  0.5000  0.3153  1
  Ho  Ho2  4  0.1713  0.0000  0.3401  1
  Ho  Ho3  2  0.0000  0.0000  0.0000  1
  Ho  Ho4  2  0.0000  0.5000  0.5000  1
  Er  Er5  8  0.0645  0.2063  0.7807  1
  Er  Er6  4  0.0000  0.3213  0.0000  1
  Er  Er7  4  0.1221  0.0000  0.5654  1
  Er  Er8  4  0.2013  0.5000  0.0723  1
]