data_Re2NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57
_cell_length_b   8.57
_cell_length_c   8.57
_cell_angle_alpha   18.68
_cell_angle_beta   18.68
_cell_angle_gamma   18.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2NiGe
_chemical_formula_sum   'Re2 Ni1 Ge1'
_cell_volume   56.41
_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
  Re  Re2  1  0.0  0.0  0.36  1.0
  Re  Re3  1  0.0  0.0  0.89  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.63  1.0

data_Re2NiGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   2.78
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   100.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re2NiGe
_chemical_formula_sum   'Re4 Ni2 Ge2'
_cell_volume   112.83
_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
  Re  Re0  2  0.0  0.0  0.11  1.0
  Re  Re1  2  0.0  0.0  0.64  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Ge  Ge3  2  0.0  0.0  0.37  1.0

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