data_[Nd12Ho20Er4]
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 [15.3202]
_cell_length_b [11.3232]
_cell_length_c [10.0004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.4919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Ho5Er]
_chemical_formula_sum '[Nd12 Ho20 Er4]'
_cell_volume [1319.3224]
_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  0.0087  0.5000  0.8086  1
  Nd  Nd1  4  0.0239  0.0000  0.3633  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Nd  Nd3  2  0.0000  0.5000  0.5000  1
  Ho  Ho4  8  0.1595  0.2504  0.7521  1
  Ho  Ho5  4  0.0000  0.2576  0.0000  1
  Ho  Ho6  4  0.2175  0.5000  0.2260  1
  Ho  Ho7  4  0.2215  0.0000  0.0350  1
  Er  Er8  4  0.2478  0.0000  0.3969  1
]