data_[Tm9Ni24Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9258]
_cell_length_b [4.9258]
_cell_length_c [24.1334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tm3Ni8Pd]
_chemical_formula_sum '[Tm9 Ni24 Pd3]'
_cell_volume [507.1116]
_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
[
  Tm  Tm0  3  0.0000  0.0000  0.0105  1.0
  Tm  Tm1  3  0.0000  0.0000  0.4919  1.0
  Tm  Tm2  3  0.0000  0.0000  0.6228  1.0
  Ni  Ni3  9  0.1667  0.3334  0.8953  1.0
  Ni  Ni4  9  0.1685  0.3370  0.3950  1.0
  Ni  Ni5  3  0.0000  0.0000  0.3120  1.0
  Ni  Ni6  3  0.0000  0.0000  0.8124  1.0
  Pd  Pd7  3  0.0000  0.0000  0.1295  1.0
]