data_[Np3Be51Re3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Be  1.5700  1.0500  0.5900
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4627]
_cell_length_b [7.4627]
_cell_length_c [10.9218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NpBe17Re]
_chemical_formula_sum '[Np3 Be51 Re3]'
_cell_volume [526.7651]
_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
[
  Np  Np0  3  0.0000  0.0000  0.6619  1
  Be  Be1  18  0.0070  0.2954  0.9998  1
  Be  Be2  9  0.0070  0.5035  0.8451  1
  Be  Be3  9  0.0098  0.5049  0.1554  1
  Be  Be4  9  0.1668  0.3337  0.8335  1
  Be  Be5  3  0.0000  0.0000  0.1009  1
  Be  Be6  3  0.0000  0.0000  0.9086  1
  Re  Re7  3  0.0000  0.0000  0.3276  1
]