data_NaFe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   95.68
_cell_angle_beta   95.68
_cell_angle_gamma   143.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe8
_chemical_formula_sum   'Na1 Fe8'
_cell_volume   101.86
_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
  Na  Na8  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.4  0.6  0.78  1.0
  Fe  Fe1  1  0.6  0.4  0.78  1.0
  Fe  Fe2  1  0.65  0.0  0.0  1.0
  Fe  Fe3  1  0.4  0.4  0.78  1.0
  Fe  Fe4  1  0.0  0.65  0.0  1.0
  Fe  Fe5  1  0.39  0.39  0.0  1.0
  Fe  Fe6  1  0.93  0.0  0.0  1.0
  Fe  Fe7  1  0.0  0.93  0.0  1.0

data_NaFe8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.55
_cell_length_b   10.71
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaFe8
_chemical_formula_sum   'Na2 Fe16'
_cell_volume   203.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Fe  Fe1  4  0.0  0.4  0.22  1.0
  Fe  Fe2  4  0.04  0.04  0.0  1.0
  Fe  Fe3  4  0.18  0.18  0.0  1.0
  Fe  Fe4  2  0.1  0.5  0.22  1.0
  Fe  Fe5  2  0.11  0.5  -0.0  1.0

Na Fe Fe Fe Fe Fe Fe Fe Fe