data_[Ho4Er2Pu6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  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 [17.6802]
_cell_length_b [3.7715]
_cell_length_c [8.8868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Er(PuSe2)3]
_chemical_formula_sum '[Ho4 Er2 Pu6 Se12]'
_cell_volume [573.4721]
_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
[
  Ho  Ho0  4  0.1784  0.5000  0.8380  1
  Er  Er1  2  0.0000  0.5000  0.0000  1
  Pu  Pu2  4  0.1641  0.5000  0.3310  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0128  0.0000  0.2486  1
  Se  Se5  4  0.1583  0.0000  0.0648  1
  Se  Se6  4  0.1608  0.0000  0.5909  1
]