data_NaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16
_cell_length_b   10.16
_cell_length_c   3.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   165.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2
_chemical_formula_sum   'Na2 Ni4'
_cell_volume   102.13
_cell_formula_units_Z   2
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  0.38  0.91  1.0
  Na  Na1  1  0.31  0.62  0.97  1.0
  Ni  Ni2  1  0.31  0.73  0.91  1.0
  Ni  Ni3  1  0.31  0.77  0.91  1.0
  Ni  Ni4  1  0.31  0.23  0.97  1.0
  Ni  Ni5  1  0.31  0.27  0.97  1.0

data_NaNi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.62
_cell_length_b   3.87
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   97.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaNi2
_chemical_formula_sum   'Na2 Ni4'
_cell_volume   102.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.38  0.03  0.88  1.0
  Ni  Ni1  2  0.23  0.97  0.73  1.0
  Ni  Ni2  2  0.27  0.97  0.77  1.0

Na Na Ni Ni Ni Ni