data_[Nd4Ho20Er12]
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 [16.7896]
_cell_length_b [7.9307]
_cell_length_c [12.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.5609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdHo5Er3]
_chemical_formula_sum '[Nd4 Ho20 Er12]'
_cell_volume [1227.4144]
_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  0.2363  0.0000  0.1321  1
  Ho  Ho1  8  0.0643  0.2070  0.7801  1
  Ho  Ho2  4  0.0000  0.3213  0.0000  1
  Ho  Ho3  4  0.1229  0.0000  0.5661  1
  Ho  Ho4  4  0.2013  0.5000  0.0720  1
  Er  Er5  4  0.1214  0.5000  0.3172  1
  Er  Er6  4  0.1695  0.0000  0.3388  1
  Er  Er7  2  0.0000  0.0000  0.0000  1
  Er  Er8  2  0.0000  0.5000  0.5000  1
]