data_[Er9Np9Al3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Np  1.3600  1.7500  1.0000
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6515]
_cell_length_b [6.6515]
_cell_length_c [16.7232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er3Np3AlN8]
_chemical_formula_sum '[Er9 Np9 Al3 N24]'
_cell_volume [640.7452]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1
  Np  Np1  9  0.0000  0.5000  0.5000  1
  Al  Al2  3  0.0000  0.0000  0.5000  1
  N  N3  18  0.0219  0.5109  0.2379  1
  N  N4  6  0.0000  0.0000  0.2523  1
]