data_[Er6Pu6Nb6]
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
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4652]
_cell_length_b [3.4652]
_cell_length_c [39.9085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [ErPuNb]
_chemical_formula_sum '[Er6 Pu6 Nb6]'
_cell_volume [415.0020]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1281  1
  Pu  Pu1  6  0.0000  0.0000  0.3178  1
  Nb  Nb2  6  0.0000  0.0000  0.4010  1
]