data_Na2NbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   2.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbNi
_chemical_formula_sum   'Na2 Nb1 Ni1'
_cell_volume   75.8
_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  0.31  0.75  0.31  1.0
  Na  Na1  1  0.31  0.25  0.31  1.0
  Nb  Nb2  1  0.63  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Na2NbNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.25
_cell_length_c   6.1
_cell_angle_alpha   115.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbNi
_chemical_formula_sum   'Na2 Nb1 Ni1'
_cell_volume   75.8
_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  0.31  0.25  0.56  1.0
  Na  Na1  1  0.31  0.75  0.07  1.0
  Nb  Nb2  1  0.0  0.0  0.63  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Na Na Nb Ni