data_ZnFe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   131.74
_cell_angle_beta   131.74
_cell_angle_gamma   70.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Re
_chemical_formula_sum   'Zn1 Fe2 Re1'
_cell_volume   50.87
_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  0.0  0.0  0.7  1.0
  Fe  Fe0  1  0.0  0.85  0.85  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.85  0.0  0.85  1.0

data_ZnFe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   4.53
_cell_angle_alpha   114.13
_cell_angle_beta   114.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnFe2Re
_chemical_formula_sum   'Zn1 Fe2 Re1'
_cell_volume   50.87
_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  0.3  0.0  0.3  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.85  0.0  1.0
  Re  Re3  1  0.15  0.0  0.0  1.0

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