data_[Nd3Tm36Pb21]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [15.2905]
_cell_length_b [15.2905]
_cell_length_c [8.9325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NdTm12Pb7]
_chemical_formula_sum '[Nd3 Tm36 Pb21]'
_cell_volume [1808.6326]
_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  0.0000  1
  Tm  Tm1  18  0.0000  0.2787  0.0000  1
  Tm  Tm2  18  0.1107  0.2214  0.3904  1
  Pb  Pb3  18  0.1029  0.8971  0.7649  1
  Pb  Pb4  3  0.0000  0.0000  0.5000  1
]