data_NaZnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   145.41
_cell_angle_beta   145.41
_cell_angle_gamma   49.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnBi
_chemical_formula_sum   'Na1 Zn1 Bi1'
_cell_volume   76.92
_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  0.62  1.0
  Zn  Zn2  1  0.0  0.0  0.47  1.0
  Bi  Bi0  1  0.0  0.0  0.18  1.0

data_NaZnBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   114.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZnBi
_chemical_formula_sum   'Na2 Zn2 Bi2'
_cell_volume   153.84
_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  0.38  1.0
  Zn  Zn1  2  0.0  0.0  0.53  1.0
  Bi  Bi2  2  0.0  0.0  0.82  1.0

Na Zn Bi
Na Zn Bi 0 1 o o o 1 2 o o o 