data_Na2GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.56
_cell_length_b   10.56
_cell_length_c   10.56
_cell_angle_alpha   18.92
_cell_angle_beta   18.92
_cell_angle_gamma   18.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2GaBi
_chemical_formula_sum   'Na2 Ga1 Bi1'
_cell_volume   108.21
_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  0.86  1.0
  Na  Na3  1  0.0  0.0  0.24  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.55  1.0

data_Na2GaBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.01
_cell_length_b   3.47
_cell_length_c   10.56
_cell_angle_alpha   90.0
_cell_angle_beta   100.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2GaBi
_chemical_formula_sum   'Na4 Ga2 Bi2'
_cell_volume   216.41
_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  0.0  0.0  0.14  1.0
  Na  Na1  2  0.0  0.0  0.76  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.45  1.0

Na Na Ga Bi
Na Na Ga Bi 0 2 o o + 0 3 o o o 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 