data_FeSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.14
_cell_angle_alpha   106.0
_cell_angle_beta   106.0
_cell_angle_gamma   36.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Ru
_chemical_formula_sum   'Fe1 Si2 Ru1'
_cell_volume   48.3
_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
  Fe  Fe0  1  0.74  0.0  0.66  1.0
  Si  Si2  1  0.48  0.0  0.74  1.0
  Si  Si3  1  0.11  0.0  0.26  1.0
  Ru  Ru1  1  0.21  0.0  0.25  1.0

data_FeSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.14
_cell_length_c   4.53
_cell_angle_alpha   106.0
_cell_angle_beta   108.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Ru
_chemical_formula_sum   'Fe1 Si2 Ru1'
_cell_volume   48.3
_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
  Fe  Fe0  1  0.0  0.66  0.74  1.0
  Si  Si1  1  0.0  0.26  0.11  1.0
  Si  Si2  1  0.0  0.74  0.48  1.0
  Ru  Ru3  1  0.0  0.25  0.21  1.0

Fe Si Si Ru