data_[Re6Ni6]
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 [Amm2]
_cell_length_a [4.2532]
_cell_length_b [7.9216]
_cell_length_c [4.5941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ReNi]
_chemical_formula_sum '[Re6 Ni6]'
_cell_volume [154.7863]
_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
[
  Re  Re0  4  0.0000  0.1703  0.4941  1.0
  Re  Re1  2  0.5000  0.0000  0.6748  1.0
  Ni  Ni2  4  0.5000  0.1614  0.1654  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0043  1.0
]