data_ReNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2Ge
_chemical_formula_sum   'Re1 Ni2 Ge1'
_cell_volume   52.19
_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  Re3  1  0.55  0.0  0.0  1.0
  Ni  Ni1  1  0.28  0.91  0.34  1.0
  Ni  Ni2  1  0.28  0.09  0.34  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_ReNi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   112.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2Ge
_chemical_formula_sum   'Re1 Ni2 Ge1'
_cell_volume   52.19
_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  Re0  1  0.0  0.55  0.0  1.0
  Ni  Ni1  1  0.34  0.28  0.09  1.0
  Ni  Ni2  1  0.34  0.28  0.91  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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