data_ReSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.03
_cell_angle_alpha   101.21
_cell_angle_beta   101.21
_cell_angle_gamma   38.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Ru
_chemical_formula_sum   'Re1 Si2 Ru1'
_cell_volume   54.55
_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  0.45  0.0  0.46  1.0
  Si  Si2  1  0.22  0.0  0.73  1.0
  Si  Si3  1  0.69  0.0  0.19  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_ReSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.21
_cell_length_c   5.03
_cell_angle_alpha   101.21
_cell_angle_beta   90.0
_cell_angle_gamma   109.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Ru
_chemical_formula_sum   'Re1 Si2 Ru1'
_cell_volume   54.55
_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
  Si  Si0  1  0.0  0.31  0.81  1.0
  Re  Re1  1  0.0  0.55  0.54  1.0
  Si  Si2  1  0.0  0.78  0.27  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Re Si Si Ru