data_ZnFeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   2.62
_cell_angle_alpha   99.29
_cell_angle_beta   99.29
_cell_angle_gamma   117.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeRe2
_chemical_formula_sum   'Zn1 Fe1 Re2'
_cell_volume   56.44
_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
  Zn  Zn3  1  0.63  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.91  0.16  0.24  1.0
  Re  Re2  1  0.91  0.84  0.24  1.0

data_ZnFeRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   117.48
_cell_angle_beta   99.29
_cell_angle_gamma   99.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFeRe2
_chemical_formula_sum   'Zn1 Fe1 Re2'
_cell_volume   56.44
_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
  Zn  Zn0  1  0.0  0.63  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.24  0.91  0.16  1.0
  Re  Re3  1  0.24  0.91  0.84  1.0

Zn Fe Re Re
Zn Fe Re Re 0 2 o o o 1 3 - - o 1 2 - o o 