data_[Y6Ho4Pu2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0585]
_cell_length_b [3.8967]
_cell_length_c [7.8498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Ho2PuS6]
_chemical_formula_sum '[Y6 Ho4 Pu2 S12]'
_cell_volume [507.7606]
_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
[
  Y  Y0  4  0.1650  0.0000  0.8357  1
  Y  Y1  2  0.0000  0.5000  0.5000  1
  Ho  Ho2  4  0.1640  0.0000  0.3285  1
  Pu  Pu3  2  0.0000  0.5000  0.0000  1
  S  S4  4  0.0005  0.0000  0.2525  1
  S  S5  4  0.1684  0.5000  0.0867  1
  S  S6  4  0.1685  0.5000  0.5816  1
]