data_FeCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.6
_cell_angle_alpha   107.55
_cell_angle_beta   107.55
_cell_angle_gamma   35.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu5
_chemical_formula_sum   'Fe1 Cu5'
_cell_volume   65.86
_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
  Cu  Cu0  1  0.43  0.0  0.43  1.0
  Cu  Cu1  1  0.77  0.0  0.54  1.0
  Cu  Cu2  1  0.11  0.0  0.66  1.0
  Cu  Cu3  1  0.31  0.0  0.77  1.0
  Cu  Cu4  1  0.66  0.0  0.89  1.0

data_FeCu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.64
_cell_length_c   5.6
_cell_angle_alpha   107.55
_cell_angle_beta   90.0
_cell_angle_gamma   107.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu5
_chemical_formula_sum   'Fe1 Cu5'
_cell_volume   65.86
_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
  Cu  Cu1  1  0.0  0.23  0.46  1.0
  Cu  Cu2  1  0.0  0.34  0.11  1.0
  Cu  Cu3  1  0.0  0.57  0.57  1.0
  Cu  Cu4  1  0.0  0.69  0.23  1.0
  Cu  Cu5  1  0.0  0.89  0.34  1.0

Fe Cu Cu Cu Cu Cu
Fe Cu Cu Cu Cu Cu 0 5 - o - 1 2 o o o 2 3 + o o 3 4 o o o 4 5 o o o 