data_FeRe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67
_cell_length_b   8.67
_cell_length_c   8.67
_cell_angle_alpha   17.76
_cell_angle_beta   17.76
_cell_angle_gamma   17.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRe2Ni
_chemical_formula_sum   'Fe1 Re2 Ni1'
_cell_volume   52.91
_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  0.76  1.0
  Re  Re2  1  0.0  0.0  0.11  1.0
  Re  Re3  1  0.0  0.0  0.26  1.0
  Ni  Ni1  1  0.0  0.0  0.27  1.0

data_FeRe2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   2.68
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   100.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeRe2Ni
_chemical_formula_sum   'Fe2 Re4 Ni2'
_cell_volume   105.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.24  1.0
  Re  Re1  2  -0.0  0.0  0.74  1.0
  Re  Re2  2  -0.0  0.0  0.89  1.0
  Ni  Ni3  2  -0.0  0.0  0.73  1.0

Fe Re Re Ni