data_Na2NbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   9.64
_cell_angle_alpha   92.94
_cell_angle_beta   92.94
_cell_angle_gamma   48.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbNi
_chemical_formula_sum   'Na2 Nb1 Ni1'
_cell_volume   81.54
_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  0.57  0.0  0.17  1.0
  Na  Na1  1  0.5  0.0  0.57  1.0
  Nb  Nb2  1  0.83  0.0  0.33  1.0
  Ni  Ni3  1  0.14  0.0  0.98  1.0

data_Na2NbNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.37
_cell_length_c   9.64
_cell_angle_alpha   92.94
_cell_angle_beta   90.0
_cell_angle_gamma   114.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbNi
_chemical_formula_sum   'Na2 Nb1 Ni1'
_cell_volume   81.54
_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  0.43  0.83  1.0
  Na  Na1  1  0.0  0.5  0.43  1.0
  Nb  Nb2  1  0.0  0.17  0.67  1.0
  Ni  Ni3  1  0.0  0.86  0.02  1.0

Na Na Nb Ni
Na Na Nb Ni 0 2 o o o 0 3 + o - 0 3 o o - 1 1 o + o 1 1 + - o 1 1 + o o 1 2 - o o 1 2 o o o 3 3 + - o 