data_[Tm6Np3Al27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Np  1.3600  1.7500  1.0000
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4954]
_cell_length_b [5.4954]
_cell_length_c [26.3250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm2NpAl9]
_chemical_formula_sum '[Tm6 Np3 Al27]'
_cell_volume [688.4921]
_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  6  0.0000  0.0000  0.1405  1
  Np  Np1  3  0.0000  0.0000  0.0000  1
  Al  Al2  18  0.0058  0.5029  0.9165  1
  Al  Al3  6  0.0000  0.0000  0.3348  1
  Al  Al4  3  -0.0000  -0.0000  0.5000  1
]