data_FeSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   38.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Ru
_chemical_formula_sum   'Fe1 Sb2 Ru1'
_cell_volume   73.17
_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  0.0  0.36  1.0
  Sb  Sb2  1  0.19  0.0  0.65  1.0
  Sb  Sb3  1  0.0  0.0  0.63  1.0
  Ru  Ru1  1  0.19  0.0  0.9  1.0

data_FeSb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.38
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   109.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Ru
_chemical_formula_sum   'Fe1 Sb2 Ru1'
_cell_volume   73.17
_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  0.64  0.0  0.64  1.0
  Sb  Sb1  1  0.35  0.19  0.35  1.0
  Sb  Sb2  1  0.37  0.0  0.37  1.0
  Ru  Ru3  1  0.1  0.19  0.1  1.0

Fe Sb Sb Ru
Fe Sb Sb Ru 0 2 o o o 1 2 o o o 1 3 o o o 