data_SrFe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.28
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Re
_chemical_formula_sum   'Sr1 Fe2 Re1'
_cell_volume   67.06
_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
  Sr  Sr3  1  0.0  0.0  0.64  1.0
  Fe  Fe0  1  0.38  0.64  0.7  1.0
  Fe  Fe1  1  0.0  0.0  0.68  1.0
  Re  Re2  1  0.38  0.64  0.1  1.0

data_SrFe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.28
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFe2Re
_chemical_formula_sum   'Sr1 Fe2 Re1'
_cell_volume   67.06
_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
  Sr  Sr0  1  0.0  0.0  0.64  1.0
  Fe  Fe1  1  0.0  0.0  0.68  1.0
  Fe  Fe2  1  0.38  0.64  0.7  1.0
  Re  Re3  1  0.38  0.64  0.1  1.0

Sr Fe Fe Re
Sr Fe Fe Re 0 2 o o o 0 1 o - o 1 2 o + o 1 3 o o + 3 3 + o o 3 3 o + o 