data_[Be51Nb3Re3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Nb  1.6000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.3116]
_cell_length_b [7.3116]
_cell_length_c [10.6196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Be17NbRe]
_chemical_formula_sum '[Be51 Nb3 Re3]'
_cell_volume [491.6617]
_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
[
  Be  Be0  18  0.0046  0.3019  0.9997  1
  Be  Be1  9  0.0049  0.5025  0.4985  1
  Be  Be2  9  0.0114  0.5057  0.1544  1
  Be  Be3  9  0.1667  0.3333  0.1804  1
  Be  Be4  3  0.0000  0.0000  0.1021  1
  Be  Be5  3  0.0000  0.0000  0.9030  1
  Nb  Nb6  3  0.0000  0.0000  0.6598  1
  Re  Re7  3  0.0000  0.0000  0.3372  1
]