data_NaVFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   152.07
_cell_angle_beta   129.41
_cell_angle_gamma   58.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVFe2
_chemical_formula_sum   'Na1 V1 Fe2'
_cell_volume   54.25
_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  Na2  1  0.0  0.0  0.55  1.0
  V  V3  1  0.0  0.28  0.62  1.0
  Fe  Fe0  1  0.0  0.0  0.12  1.0
  Fe  Fe1  1  0.28  0.0  0.99  1.0

data_NaVFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.55
_cell_length_c   5.32
_cell_angle_alpha   115.3
_cell_angle_beta   103.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVFe2
_chemical_formula_sum   'Na1 V1 Fe2'
_cell_volume   54.25
_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  0.45  0.45  0.45  1.0
  V  V1  1  0.38  0.65  0.65  1.0
  Fe  Fe2  1  0.3  0.01  0.3  1.0
  Fe  Fe3  1  0.88  0.88  0.88  1.0

Na V Fe Fe