data_NaGa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   5.49
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   94.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGa2Bi
_chemical_formula_sum   'Na1 Ga2 Bi1'
_cell_volume   101.8
_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  0.0  1.0
  Ga  Ga1  1  0.55  0.74  0.09  1.0
  Ga  Ga2  1  0.29  0.74  0.49  1.0
  Bi  Bi0  1  0.42  0.0  0.79  1.0

data_NaGa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.49
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   94.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGa2Bi
_chemical_formula_sum   'Na1 Ga2 Bi1'
_cell_volume   101.8
_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  0.29  0.74  0.49  1.0
  Ga  Ga2  1  0.55  0.74  0.09  1.0
  Bi  Bi3  1  0.42  0.0  0.79  1.0

Na Ga Ga Bi