data_ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   132.65
_cell_angle_beta   130.85
_cell_angle_gamma   70.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi
_chemical_formula_sum   'Re2 Ni2'
_cell_volume   51.71
_cell_formula_units_Z   2
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  Re2  1  0.0  0.85  0.93  1.0
  Re  Re3  1  0.83  0.05  0.79  1.0
  Ni  Ni0  1  0.83  0.95  0.94  1.0
  Ni  Ni1  1  0.0  0.95  0.78  1.0

data_ReNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.66
_cell_length_b   3.79
_cell_length_c   4.56
_cell_angle_alpha   114.58
_cell_angle_beta   113.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ReNi
_chemical_formula_sum   'Re2 Ni2'
_cell_volume   51.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.01  0.82  0.91  1.0
  Ni  Ni1  2  0.17  0.08  0.17  1.0

Re Re Ni Ni