data_FeSn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSn2Ru
_chemical_formula_sum   'Fe1 Sn2 Ru1'
_cell_volume   64.74
_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  0.0  1.0
  Sn  Sn2  1  0.14  0.0  0.95  1.0
  Sn  Sn3  1  0.14  0.0  0.62  1.0
  Ru  Ru1  1  0.0  0.0  0.28  1.0

data_FeSn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSn2Ru
_chemical_formula_sum   'Fe1 Sn2 Ru1'
_cell_volume   64.74
_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  0.0  1.0
  Sn  Sn1  1  0.14  0.0  0.62  1.0
  Sn  Sn2  1  0.14  0.0  0.95  1.0
  Ru  Ru3  1  0.0  0.0  0.28  1.0

Fe Sn Sn Ru
Fe Sn Sn Ru 0 1 o o - 0 2 o o - 0 3 o o o 1 2 o o o 1 3 o o + 2 3 o o o 