data_NaCu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.48
_cell_angle_alpha   104.55
_cell_angle_beta   104.55
_cell_angle_gamma   28.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu5
_chemical_formula_sum   'Na1 Cu5'
_cell_volume   81.47
_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
  Na  Na5  1  0.67  0.0  0.9  1.0
  Cu  Cu0  1  0.96  0.0  0.05  1.0
  Cu  Cu1  1  0.18  0.0  0.19  1.0
  Cu  Cu2  1  0.4  0.0  0.06  1.0
  Cu  Cu3  1  0.55  0.0  0.81  1.0
  Cu  Cu4  1  0.53  0.0  0.73  1.0

data_NaCu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   5.22
_cell_length_c   6.48
_cell_angle_alpha   104.55
_cell_angle_beta   90.0
_cell_angle_gamma   104.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu5
_chemical_formula_sum   'Na1 Cu5'
_cell_volume   81.47
_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
  Na  Na0  1  0.0  0.33  0.1  1.0
  Cu  Cu1  1  0.0  0.04  0.95  1.0
  Cu  Cu2  1  0.0  0.45  0.19  1.0
  Cu  Cu3  1  0.0  0.47  0.27  1.0
  Cu  Cu4  1  0.0  0.6  0.94  1.0
  Cu  Cu5  1  0.0  0.82  0.81  1.0

Na Cu Cu Cu Cu Cu