data_ZnRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   130.04
_cell_angle_beta   130.04
_cell_angle_gamma   73.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Ru
_chemical_formula_sum   'Zn1 Re2 Ru1'
_cell_volume   58.05
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.97  0.0  0.87  1.0
  Re  Re1  1  0.0  0.0  0.74  1.0
  Ru  Ru2  1  0.0  0.97  0.87  1.0

data_ZnRe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   4.66
_cell_angle_alpha   114.98
_cell_angle_beta   114.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRe2Ru
_chemical_formula_sum   'Zn1 Re2 Ru1'
_cell_volume   58.05
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.74  0.74  0.74  1.0
  Re  Re2  1  0.87  0.9  0.9  1.0
  Ru  Ru3  1  0.9  0.87  0.9  1.0

Zn Re Re Ru