data_NaLa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   9.29
_cell_angle_alpha   102.19
_cell_angle_beta   102.19
_cell_angle_gamma   58.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Ni
_chemical_formula_sum   'Na1 La2 Ni1'
_cell_volume   135.83
_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  Na2  1  0.0  0.0  0.0  1.0
  La  La0  1  0.09  0.0  1.0  1.0
  La  La1  1  0.96  0.0  0.01  1.0
  Ni  Ni3  1  0.52  0.0  0.51  1.0

data_NaLa2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.19
_cell_length_c   9.29
_cell_angle_alpha   102.19
_cell_angle_beta   90.0
_cell_angle_gamma   119.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Ni
_chemical_formula_sum   'Na1 La2 Ni1'
_cell_volume   135.83
_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
  La  La1  1  0.0  0.04  0.99  1.0
  La  La2  1  0.0  0.91  0.0  1.0
  Ni  Ni3  1  0.0  0.48  0.49  1.0

Na La La Ni