data_FeReSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.66
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   105.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReSn2
_chemical_formula_sum   'Fe1 Re1 Sn2'
_cell_volume   73.14
_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  0.86  0.0  0.78  1.0
  Re  Re1  1  0.78  0.33  0.6  1.0
  Sn  Sn2  1  0.07  0.0  0.93  1.0
  Sn  Sn3  1  0.43  0.33  0.38  1.0

data_FeReSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.66
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   105.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReSn2
_chemical_formula_sum   'Fe1 Re1 Sn2'
_cell_volume   73.14
_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  0.86  0.0  0.78  1.0
  Re  Re1  1  0.78  0.33  0.6  1.0
  Sn  Sn2  1  0.07  0.0  0.93  1.0
  Sn  Sn3  1  0.43  0.33  0.38  1.0

Fe Re Sn Sn
Fe Re Sn Sn 0 2 + o o 1 3 o o o 