data_Re2GeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   131.76
_cell_angle_beta   131.76
_cell_angle_gamma   70.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2GeRu
_chemical_formula_sum   'Re2 Ge1 Ru1'
_cell_volume   58.71
_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  Re1  1  0.94  0.0  0.94  1.0
  Re  Re2  1  0.0  0.0  0.88  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.94  0.94  1.0

data_Re2GeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   4.76
_cell_angle_alpha   114.12
_cell_angle_beta   114.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2GeRu
_chemical_formula_sum   'Re2 Ge1 Ru1'
_cell_volume   58.71
_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  0.06  0.0  0.0  1.0
  Re  Re1  1  0.12  0.0  0.12  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.94  0.0  1.0

Re Re Ge Ru