data_[Be6Nb6Re6]
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 [Pmma]
_cell_length_a [11.4832]
_cell_length_b [3.2339]
_cell_length_c [6.6858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [BeNbRe]
_chemical_formula_sum '[Be6 Nb6 Re6]'
_cell_volume [248.2798]
_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
[
  Be  Be0  4  0.0888  0.5000  0.0540  1.0
  Be  Be1  2  0.2500  0.0000  0.5467  1.0
  Nb  Nb2  4  0.0522  0.0000  0.7476  1.0
  Nb  Nb3  2  0.2500  0.0000  0.1579  1.0
  Re  Re4  4  0.1202  0.5000  0.4192  1.0
  Re  Re5  2  0.2500  0.5000  0.8018  1.0
]