data_Na2AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   122.08
_cell_angle_beta   122.08
_cell_angle_gamma   86.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlNi
_chemical_formula_sum   'Na2 Al1 Ni1'
_cell_volume   73.07
_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  0.3  0.73  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.46  1.0
  Ni  Ni3  1  0.3  0.0  0.73  1.0

data_Na2AlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.75
_cell_angle_alpha   118.96
_cell_angle_beta   118.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlNi
_chemical_formula_sum   'Na2 Al1 Ni1'
_cell_volume   73.07
_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  0.0  1.0
  Na  Na1  1  0.57  0.3  0.57  1.0
  Al  Al2  1  0.54  0.0  0.54  1.0
  Ni  Ni3  1  0.27  0.0  0.57  1.0

Na Na Al Ni