data_[Li3Tm3Pu12N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Pu  1.2800  1.7500  0.9675
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.8617]
_cell_length_b [6.8617]
_cell_length_c [15.0934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiTmPu4N8]
_chemical_formula_sum '[Li3 Tm3 Pu12 N24]'
_cell_volume [615.4325]
_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
[
  Li  Li0  3  0.0000  0.0000  0.9982  1
  Tm  Tm1  3  0.0000  0.0000  0.3825  1
  Pu  Pu2  9  0.0008  0.5004  0.4992  1
  Pu  Pu3  3  0.0000  0.0000  0.6065  1
  N  N4  9  0.0228  0.5114  0.7672  1
  N  N5  9  0.1836  0.3672  0.5736  1
  N  N6  3  0.0000  0.0000  0.2362  1
  N  N7  3  0.0000  0.0000  0.7567  1
]