data_Na2FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   7.53
_cell_angle_alpha   93.62
_cell_angle_beta   93.62
_cell_angle_gamma   38.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2FeNi
_chemical_formula_sum   'Na2 Fe1 Ni1'
_cell_volume   81.49
_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
  Na  Na1  1  0.02  0.0  0.43  1.0
  Na  Na2  1  0.52  0.0  0.2  1.0
  Fe  Fe0  1  0.86  0.0  0.47  1.0
  Ni  Ni3  1  0.69  0.0  0.18  1.0

data_Na2FeNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.18
_cell_length_c   7.53
_cell_angle_alpha   93.62
_cell_angle_beta   90.0
_cell_angle_gamma   109.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2FeNi
_chemical_formula_sum   'Na2 Fe1 Ni1'
_cell_volume   81.49
_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
  Na  Na0  1  0.0  0.48  0.8  1.0
  Na  Na1  1  0.0  0.98  0.57  1.0
  Fe  Fe2  1  0.0  0.14  0.53  1.0
  Ni  Ni3  1  0.0  0.31  0.82  1.0

Na Na Fe Ni