data_Fe4Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.85
_cell_length_b   13.78
_cell_length_c   2.4
_cell_angle_alpha   86.67
_cell_angle_beta   83.37
_cell_angle_gamma   9.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4Cu3
_chemical_formula_sum   'Fe4 Cu3'
_cell_volume   74.39
_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  Fe3  1  0.39  0.96  0.92  1.0
  Fe  Fe4  1  0.39  0.96  0.83  1.0
  Fe  Fe5  1  0.39  0.96  0.5  1.0
  Fe  Fe6  1  0.39  0.96  0.75  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.39  0.96  0.67  1.0
  Cu  Cu2  1  0.39  0.96  0.59  1.0

data_Fe4Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.4
_cell_length_b   2.4
_cell_length_c   13.78
_cell_angle_alpha   93.33
_cell_angle_beta   93.33
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4Cu3
_chemical_formula_sum   'Fe4 Cu3'
_cell_volume   74.39
_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  0.38  0.08  0.34  1.0
  Fe  Fe1  1  0.38  0.17  0.34  1.0
  Fe  Fe2  1  0.38  0.25  0.34  1.0
  Fe  Fe3  1  0.38  0.5  0.34  1.0
  Cu  Cu4  1  0.0  0.0  0.0  1.0
  Cu  Cu5  1  0.38  0.33  0.34  1.0
  Cu  Cu6  1  0.38  0.41  0.34  1.0

Fe Fe Fe Fe Cu Cu Cu