data_[Nd12Tm4Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3978]
_cell_length_b [10.6944]
_cell_length_c [7.2597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3TmPd3]
_chemical_formula_sum '[Nd12 Tm4 Pd12]'
_cell_volume [729.2027]
_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  0.0000  0.1746  0.5000  1
  Nd  Nd1  4  0.0000  0.2555  0.0000  1
  Nd  Nd2  4  0.1527  0.5000  0.3699  1
  Tm  Tm3  4  0.2480  0.5000  0.8739  1
  Pd  Pd4  8  0.2378  0.2669  0.7155  1
  Pd  Pd5  4  0.0632  0.0000  0.8149  1
]