data_[Re6Ni33]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5855]
_cell_length_b [4.5855]
_cell_length_c [24.8697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Re2Ni11]
_chemical_formula_sum '[Re6 Ni33]'
_cell_volume [452.8646]
_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
[
  Re  Re0  6  0.0000  0.0000  0.4526  1
  Ni  Ni1  18  0.0025  0.5013  0.4107  1
  Ni  Ni2  6  0.0000  0.0000  0.1666  1
  Ni  Ni3  6  0.0000  0.0000  0.3472  1
  Ni  Ni4  3  0.0000  0.0000  0.0000  1
]