data_Fe5Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Cu3
_chemical_formula_sum   'Fe5 Cu3'
_cell_volume   84.29
_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  0.0  0.0  0.0  1.0
  Fe  Fe4  1  0.0  0.0  0.03  1.0
  Fe  Fe5  1  0.23  0.71  0.01  1.0
  Fe  Fe6  1  0.77  0.71  0.01  1.0
  Fe  Fe7  1  0.0  0.58  0.01  1.0
  Cu  Cu0  1  0.0  0.42  0.02  1.0
  Cu  Cu1  1  0.23  0.29  0.02  1.0
  Cu  Cu2  1  0.77  0.29  0.02  1.0

data_Fe5Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Cu3
_chemical_formula_sum   'Fe5 Cu3'
_cell_volume   84.29
_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  0.05  0.23  0.01  1.0
  Fe  Fe2  1  0.41  0.0  0.01  1.0
  Fe  Fe3  1  0.51  0.77  0.01  1.0
  Fe  Fe4  1  0.97  0.0  0.03  1.0
  Cu  Cu5  1  0.46  0.23  0.02  1.0
  Cu  Cu6  1  0.56  0.0  0.02  1.0
  Cu  Cu7  1  0.92  0.77  0.02  1.0

Fe Fe Fe Fe Fe Cu Cu Cu