data_[Rb3Er1Np2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1088]
_cell_length_b [6.1088]
_cell_length_c [7.4828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Rb3ErNp2O9]
_chemical_formula_sum '[Rb3 Er1 Np2 O9]'
_cell_volume [241.8253]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  2  0.3333  0.6667  0.6632  1
  Rb  Rb1  1  0.0000  0.0000  0.0000  1
  Er  Er2  1  0.0000  0.0000  0.5000  1
  Np  Np3  2  0.3333  0.6667  0.1677  1
  O  O4  6  0.1751  0.3502  0.3228  1
  O  O5  3  0.0000  0.5000  0.0000  1
]