data_Fe5Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Cu3
_chemical_formula_sum   'Fe10 Cu6'
_cell_volume   196.74
_cell_formula_units_Z   2
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  Fe6  1  0.0  0.07  0.0  1.0
  Fe  Fe7  1  0.53  0.04  0.28  1.0
  Fe  Fe8  1  0.53  0.04  0.0  1.0
  Fe  Fe9  1  0.0  0.07  0.28  1.0
  Fe  Fe10  1  0.51  0.0  0.14  1.0
  Fe  Fe11  1  0.55  0.0  0.42  1.0
  Fe  Fe12  1  0.25  0.31  0.14  1.0
  Fe  Fe13  1  0.77  0.8  0.14  1.0
  Fe  Fe14  1  0.75  0.31  0.42  1.0
  Fe  Fe15  1  0.23  0.8  0.42  1.0
  Cu  Cu0  1  0.17  0.0  0.14  1.0
  Cu  Cu1  1  0.88  0.0  0.42  1.0
  Cu  Cu2  1  0.91  0.61  0.14  1.0
  Cu  Cu3  1  0.44  0.5  0.14  1.0
  Cu  Cu4  1  0.09  0.61  0.42  1.0
  Cu  Cu5  1  0.56  0.5  0.42  1.0

data_Fe5Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Cu3
_chemical_formula_sum   'Fe10 Cu6'
_cell_volume   196.74
_cell_formula_units_Z   2
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  0.07  1.0
  Fe  Fe1  1  -0.0  0.53  0.04  1.0
  Fe  Fe2  1  0.14  0.25  0.31  1.0
  Fe  Fe3  1  0.14  0.51  0.0  1.0
  Fe  Fe4  1  0.14  0.77  0.8  1.0
  Fe  Fe5  1  0.28  -0.0  0.07  1.0
  Fe  Fe6  1  0.28  0.53  0.04  1.0
  Fe  Fe7  1  0.42  0.23  0.8  1.0
  Fe  Fe8  1  0.42  0.55  0.0  1.0
  Fe  Fe9  1  0.42  0.75  0.31  1.0
  Cu  Cu10  1  0.14  0.17  0.0  1.0
  Cu  Cu11  1  0.14  0.44  0.5  1.0
  Cu  Cu12  1  0.14  0.91  0.61  1.0
  Cu  Cu13  1  0.42  0.09  0.61  1.0
  Cu  Cu14  1  0.42  0.56  0.5  1.0
  Cu  Cu15  1  0.42  0.88  0.0  1.0

Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Cu Cu Cu Cu Cu Cu
Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Cu Cu Cu Cu Cu Cu 0 3 o o o 0 7 - - o 0 10 o o o 1 4 o o o 1 5 o o o 1 8 o o o 2 4 o o o 3 11 - o o 3 7 - - o 3 10 o o o 4 8 o o o 5 8 o o o 6 13 o o o 6 10 o o o 7 12 o o o 7 11 o + o 8 15 o o o 8 12 o o o 8 14 + o o 9 14 o o o 12 14 + o o 13 15 o o o 