data_[Er2Pu6Rh12]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6764]
_cell_length_b [4.4271]
_cell_length_c [9.8392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er(PuRh2)3]
_chemical_formula_sum '[Er2 Pu6 Rh12]'
_cell_volume [372.0571]
_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  2  0.0633  0.2500  0.3826  1
  Pu  Pu1  2  0.2335  0.2500  0.0407  1
  Pu  Pu2  2  0.3348  0.7500  0.8125  1
  Pu  Pu3  2  0.4508  0.2500  0.6121  1
  Rh  Rh4  2  0.0600  0.7500  0.9094  1
  Rh  Rh5  2  0.1433  0.2500  0.7087  1
  Rh  Rh6  2  0.1605  0.7500  0.2033  1
  Rh  Rh7  2  0.2533  0.7500  0.5096  1
  Rh  Rh8  2  0.3688  0.2500  0.3190  1
  Rh  Rh9  2  0.4540  0.7500  0.0979  1
]