data_ReMo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.82
_cell_angle_alpha   99.11
_cell_angle_beta   99.11
_cell_angle_gamma   33.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMo2Ru
_chemical_formula_sum   'Re1 Mo2 Ru1'
_cell_volume   61.04
_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  0.17  0.0  0.34  1.0
  Mo  Mo0  1  0.07  0.0  0.04  1.0
  Mo  Mo1  1  0.7  0.0  0.53  1.0
  Ru  Ru3  1  0.79  0.0  0.21  1.0

data_ReMo2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.82
_cell_length_c   4.85
_cell_angle_alpha   99.11
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMo2Ru
_chemical_formula_sum   'Re1 Mo2 Ru1'
_cell_volume   61.04
_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  0.34  0.17  1.0
  Mo  Mo1  1  0.0  0.04  0.07  1.0
  Mo  Mo2  1  0.0  0.53  0.7  1.0
  Ru  Ru3  1  0.0  0.21  0.79  1.0

Re Mo Mo Ru