data_Fe5Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.5
_cell_angle_alpha   107.55
_cell_angle_beta   107.55
_cell_angle_gamma   35.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Cu
_chemical_formula_sum   'Fe5 Cu1'
_cell_volume   62.39
_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  Fe1  1  0.22  0.0  0.74  1.0
  Fe  Fe2  1  0.61  0.0  0.87  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Fe  Fe4  1  0.35  0.0  0.35  1.0
  Fe  Fe5  1  0.74  0.0  0.48  1.0
  Cu  Cu0  1  0.13  0.0  0.61  1.0

data_Fe5Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.56
_cell_length_c   5.5
_cell_angle_alpha   107.55
_cell_angle_beta   90.0
_cell_angle_gamma   107.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Cu
_chemical_formula_sum   'Fe5 Cu1'
_cell_volume   62.39
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.26  0.52  1.0
  Fe  Fe2  1  0.0  0.39  0.13  1.0
  Fe  Fe3  1  0.0  0.65  0.65  1.0
  Fe  Fe4  1  0.0  0.78  0.26  1.0
  Cu  Cu5  1  0.0  0.87  0.39  1.0

Fe Fe Fe Fe Fe Cu