data_[Nd3Ho9Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0840]
_cell_length_b [5.0840]
_cell_length_c [25.0058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NdHo3Ni8]
_chemical_formula_sum '[Nd3 Ho9 Ni24]'
_cell_volume [559.7399]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1248  1.0
  Ho  Ho1  3  0.0000  0.0000  0.5010  1.0
  Ho  Ho2  3  0.0000  0.0000  0.6252  1.0
  Ho  Ho3  3  0.0000  0.0000  0.9994  1.0
  Ni  Ni4  9  0.0029  0.5014  0.5637  1.0
  Ni  Ni5  9  0.1669  0.3338  0.3945  1.0
  Ni  Ni6  3  0.0000  0.0000  0.3124  1.0
  Ni  Ni7  3  0.0000  0.0000  0.8129  1.0
]