data_Fe3Cu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.41
_cell_length_b   7.86
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   100.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Cu5
_chemical_formula_sum   'Fe3 Cu5'
_cell_volume   85.94
_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  Fe5  1  0.0  0.97  0.4  1.0
  Fe  Fe6  1  0.0  0.9  0.4  1.0
  Fe  Fe7  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.93  0.0  1.0
  Cu  Cu1  1  0.61  0.9  0.13  1.0
  Cu  Cu2  1  0.8  0.0  0.27  1.0
  Cu  Cu3  1  0.8  0.93  0.27  1.0
  Cu  Cu4  1  0.61  0.97  0.13  1.0

data_Fe3Cu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.41
_cell_length_b   4.61
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Cu5
_chemical_formula_sum   'Fe3 Cu5'
_cell_volume   85.94
_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  0.6  0.03  1.0
  Fe  Fe2  1  0.0  0.6  0.1  1.0
  Cu  Cu3  1  0.0  -0.0  0.07  1.0
  Cu  Cu4  1  0.2  0.73  0.0  1.0
  Cu  Cu5  1  0.2  0.73  0.07  1.0
  Cu  Cu6  1  0.39  0.87  0.03  1.0
  Cu  Cu7  1  0.39  0.87  0.1  1.0

Fe Fe Fe Cu Cu Cu Cu Cu