data_[Er6Pu4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5971]
_cell_length_b [4.1961]
_cell_length_c [8.8758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(PuRu2)2]
_chemical_formula_sum '[Er6 Pu4 Ru8]'
_cell_volume [388.8748]
_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
[
  Er  Er0  4  0.1263  0.5000  0.3908  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  4  0.1706  0.5000  0.7848  1
  Ru  Ru3  4  0.0891  0.0000  0.6273  1
  Ru  Ru4  4  0.2113  0.5000  0.0949  1
]