data_FeReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   131.59
_cell_angle_beta   131.59
_cell_angle_gamma   70.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReNi2
_chemical_formula_sum   'Fe1 Re1 Ni2'
_cell_volume   46.69
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.8  0.79  1.0
  Ni  Ni1  1  0.8  0.0  0.79  1.0
  Ni  Ni2  1  0.0  0.0  0.59  1.0

data_FeReNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   4.4
_cell_angle_alpha   114.2
_cell_angle_beta   114.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReNi2
_chemical_formula_sum   'Fe1 Re1 Ni2'
_cell_volume   46.69
_cell_formula_units_Z   1
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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.01  0.8  0.01  1.0
  Ni  Ni2  1  0.21  0.0  0.01  1.0
  Ni  Ni3  1  0.41  0.0  0.41  1.0

Fe Re Ni Ni
Fe Re Ni Ni 0 2 - o - 0 1 o - - 0 3 o o - 1 3 o + o 2 3 + o o 