data_[Nd3Tm9Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0807]
_cell_length_b [5.0807]
_cell_length_c [24.9808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NdTm3Ni8]
_chemical_formula_sum '[Nd3 Tm9 Ni24]'
_cell_volume [558.4575]
_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
  Tm  Tm1  3  0.0000  0.0000  0.5012  1.0
  Tm  Tm2  3  0.0000  0.0000  0.6253  1.0
  Tm  Tm3  3  0.0000  0.0000  0.9992  1.0
  Ni  Ni4  9  0.0031  0.5015  0.5639  1.0
  Ni  Ni5  9  0.1670  0.3340  0.3942  1.0
  Ni  Ni6  3  0.0000  0.0000  0.3124  1.0
  Ni  Ni7  3  0.0000  0.0000  0.8129  1.0
]