data_NaGeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   142.79
_cell_angle_beta   142.79
_cell_angle_gamma   53.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGeBi
_chemical_formula_sum   'Na1 Ge1 Bi1'
_cell_volume   81.51
_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  0.3  1.0
  Ge  Ge1  1  0.0  0.0  0.86  1.0
  Bi  Bi0  1  0.0  0.0  0.54  1.0

data_NaGeBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   116.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaGeBi
_chemical_formula_sum   'Na2 Ge2 Bi2'
_cell_volume   163.02
_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  0.7  1.0
  Ge  Ge1  2  0.0  0.0  0.14  1.0
  Bi  Bi2  2  0.0  0.0  0.46  1.0

Na Ge Bi
Na Ge Bi 0 2 o o o 1 2 o o o 