data_NaLi2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   134.75
_cell_angle_beta   134.75
_cell_angle_gamma   65.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Ga
_chemical_formula_sum   'Na1 Li2 Ga1'
_cell_volume   80.86
_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  Na3  1  0.0  0.0  0.58  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.1  0.0  0.29  1.0
  Ga  Ga0  1  0.0  0.1  0.29  1.0

data_NaLi2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.46
_cell_angle_alpha   112.63
_cell_angle_beta   112.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Ga
_chemical_formula_sum   'Na1 Li2 Ga1'
_cell_volume   80.86
_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  0.42  0.0  0.42  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.71  0.0  0.81  1.0
  Ga  Ga3  1  0.81  0.1  0.81  1.0

Na Li Li Ga