data_[Li3Pu9Cu24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.1752]
_cell_length_b [5.1752]
_cell_length_c [25.1230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiPu3Cu8]
_chemical_formula_sum '[Li3 Pu9 Cu24]'
_cell_volume [582.7188]
_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  0.8753  1
  Pu  Pu1  3  0.0000  0.0000  0.0002  1
  Pu  Pu2  3  0.0000  0.0000  0.3743  1
  Pu  Pu3  3  0.0000  0.0000  0.5006  1
  Cu  Cu4  9  0.0011  0.5005  0.9351  1
  Cu  Cu5  9  0.0045  0.5022  0.4397  1
  Cu  Cu6  3  0.0000  0.0000  0.1883  1
  Cu  Cu7  3  0.0000  0.0000  0.6870  1
]