data_NaGaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   142.53
_cell_angle_beta   125.16
_cell_angle_gamma   68.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaNi2
_chemical_formula_sum   'Na1 Ga1 Ni2'
_cell_volume   57.36
_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  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.05  1.0
  Ni  Ni2  1  0.0  0.25  0.83  1.0
  Ni  Ni3  1  0.57  0.0  0.22  1.0

data_NaGaNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.51
_cell_length_c   4.89
_cell_angle_alpha   117.42
_cell_angle_beta   108.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaNi2
_chemical_formula_sum   'Na1 Ga1 Ni2'
_cell_volume   57.36
_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
  Ga  Ga1  1  0.0  0.05  0.05  1.0
  Ni  Ni2  1  0.0  0.22  0.65  1.0
  Ni  Ni3  1  0.75  0.58  0.58  1.0

Na Ga Ni Ni