data_NaFeNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48
_cell_length_b   2.48
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeNi2
_chemical_formula_sum   'Na1 Fe1 Ni2'
_cell_volume   50.82
_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  0.0  0.0  0.19  1.0
  Fe  Fe0  1  0.41  0.0  0.74  1.0
  Ni  Ni2  1  0.41  0.0  0.59  1.0
  Ni  Ni3  1  0.0  0.0  0.64  1.0

data_NaFeNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   2.48
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeNi2
_chemical_formula_sum   'Na1 Fe1 Ni2'
_cell_volume   50.82
_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  0.0  0.19  1.0
  Fe  Fe1  1  0.41  0.0  0.74  1.0
  Ni  Ni2  1  0.0  0.0  0.64  1.0
  Ni  Ni3  1  0.41  0.0  0.59  1.0

Na Fe Ni Ni