data_NaNi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.46
_cell_length_b   9.46
_cell_length_c   9.46
_cell_angle_alpha   17.97
_cell_angle_beta   17.97
_cell_angle_gamma   17.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi2Sn
_chemical_formula_sum   'Na1 Ni2 Sn1'
_cell_volume   70.38
_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
  Ni  Ni1  1  0.0  0.0  0.97  1.0
  Ni  Ni2  1  0.0  0.0  0.95  1.0
  Sn  Sn3  1  0.0  0.0  0.96  1.0

data_NaNi2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   2.95
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   100.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaNi2Sn
_chemical_formula_sum   'Na2 Ni4 Sn2'
_cell_volume   140.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Ni  Ni1  2  -0.0  0.0  0.05  1.0
  Ni  Ni2  2  -0.0  0.0  0.03  1.0
  Sn  Sn3  2  0.0  0.0  0.04  1.0

Na Ni Ni Sn