data_[Ho4Er24Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.8393]
_cell_length_b [12.8645]
_cell_length_c [7.0006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho(Er2Ni)3]
_chemical_formula_sum '[Ho4 Er24 Ni12]'
_cell_volume [976.1744]
_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
[
  Ho  Ho0  4  0.0000  0.3201  0.0477  1
  Er  Er1  8  0.1672  0.4628  0.6708  1
  Er  Er2  8  0.2269  0.1917  0.8181  1
  Er  Er3  4  0.0000  0.0316  0.1633  1
  Er  Er4  4  0.0000  0.2265  0.5088  1
  Ni  Ni5  8  0.1952  0.1067  0.4545  1
  Ni  Ni6  4  0.0000  0.4175  0.3788  1
]