data_Re2MoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.5
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2MoRu
_chemical_formula_sum   'Re2 Mo1 Ru1'
_cell_volume   60.43
_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  0.0  0.25  0.26  1.0
  Re  Re2  1  0.49  0.0  0.26  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.49  0.25  0.0  1.0

data_Re2MoRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.5
_cell_length_b   2.97
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Re2MoRu
_chemical_formula_sum   'Re2 Mo1 Ru1'
_cell_volume   60.43
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.5  0.26  1.0
  Re  Re1  1  0.25  0.0  0.26  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.25  0.5  -0.0  1.0

Re Re Mo Ru
Re Re Mo Ru 0 1 - o o 0 1 o o o 0 3 - o o 0 3 o o o 0 2 o o o 1 2 o o o 1 2 + o o 1 3 o o o 2 3 - o o 2 3 o o o 