data_NaTiGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   156.78
_cell_angle_beta   156.78
_cell_angle_gamma   33.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiGa
_chemical_formula_sum   'Na1 Ti1 Ga1'
_cell_volume   59.86
_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  Na1  1  0.0  0.0  0.78  1.0
  Ti  Ti2  1  0.0  0.0  0.95  1.0
  Ga  Ga0  1  0.0  0.0  0.22  1.0

data_NaTiGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaTiGa
_chemical_formula_sum   'Na2 Ti2 Ga2'
_cell_volume   119.72
_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  0.28  0.5  0.78  1.0
  Ti  Ti1  2  0.45  0.5  0.95  1.0
  Ga  Ga2  2  0.22  0.0  0.22  1.0

Na Ti Ga