data_Fe3Cu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23
_cell_length_b   8.23
_cell_length_c   4.3
_cell_angle_alpha   94.99
_cell_angle_beta   94.99
_cell_angle_gamma   17.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Cu5
_chemical_formula_sum   'Fe3 Cu5'
_cell_volume   86.49
_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  0.0  0.0  1.0
  Fe  Fe6  1  0.89  0.0  0.61  1.0
  Fe  Fe7  1  0.0  0.0  0.68  1.0
  Cu  Cu0  1  0.78  0.0  0.21  1.0
  Cu  Cu1  1  0.84  0.0  0.75  1.0
  Cu  Cu2  1  0.06  0.0  0.54  1.0
  Cu  Cu3  1  0.11  0.0  0.07  1.0
  Cu  Cu4  1  0.95  0.0  0.14  1.0

data_Fe3Cu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   4.3
_cell_length_c   8.23
_cell_angle_alpha   94.99
_cell_angle_beta   98.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Cu5
_chemical_formula_sum   'Fe3 Cu5'
_cell_volume   86.49
_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  0.61  0.89  1.0
  Fe  Fe2  1  0.0  0.68  0.0  1.0
  Cu  Cu3  1  0.0  0.07  0.11  1.0
  Cu  Cu4  1  0.0  0.14  0.95  1.0
  Cu  Cu5  1  0.0  0.21  0.78  1.0
  Cu  Cu6  1  0.0  0.54  0.06  1.0
  Cu  Cu7  1  0.0  0.75  0.84  1.0

Fe Fe Fe Cu Cu Cu Cu Cu