data_[Li2Ho6Pu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0554]
_cell_length_b [12.2294]
_cell_length_c [7.0936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHo3(PuSe3)2]
_chemical_formula_sum '[Li2 Ho6 Pu4 Se12]'
_cell_volume [577.1880]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Ho  Ho1  4  0.0000  0.1685  0.5000  1
  Ho  Ho2  2  0.0000  0.5000  0.5000  1
  Pu  Pu3  4  0.0000  0.3338  0.0000  1
  Se  Se4  8  0.2464  0.1625  0.2523  1
  Se  Se5  4  0.2406  0.0000  0.7470  1
]