data_NaReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReNi2
_chemical_formula_sum   'Na1 Re1 Ni2'
_cell_volume   58.07
_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
  Na  Na0  1  0.0  0.0  0.55  1.0
  Re  Re3  1  0.3  0.3  0.85  1.0
  Ni  Ni1  1  0.3  0.3  0.38  1.0
  Ni  Ni2  1  0.0  0.0  0.03  1.0

data_NaReNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaReNi2
_chemical_formula_sum   'Na2 Re2 Ni4'
_cell_volume   116.15
_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
  Na  Na0  2  0.0  0.0  0.55  1.0
  Re  Re1  2  0.3  0.0  0.85  1.0
  Ni  Ni2  2  0.0  0.0  0.03  1.0
  Ni  Ni3  2  0.3  0.0  0.38  1.0

Na Re Ni Ni
Na Re Ni Ni 0 2 o o o 1 3 o o + 1 3 o + + 1 3 + o + 1 1 + o o 1 1 o + o 3 3 + o o 3 3 o + o 