data_BaZnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   137.62
_cell_angle_beta   136.25
_cell_angle_gamma   62.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnBi2
_chemical_formula_sum   'Ba1 Zn1 Bi2'
_cell_volume   129.34
_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
  Ba  Ba0  1  0.0  0.0  0.6  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.37  0.0  0.75  1.0
  Bi  Bi2  1  0.0  0.44  0.85  1.0

data_BaZnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.73
_cell_length_b   4.88
_cell_length_c   6.55
_cell_angle_alpha   111.87
_cell_angle_beta   111.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnBi2
_chemical_formula_sum   'Ba1 Zn1 Bi2'
_cell_volume   129.34
_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
  Ba  Ba0  1  0.0  0.6  0.6  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.75  0.38  1.0
  Bi  Bi3  1  0.56  0.41  0.41  1.0

Ba Zn Bi Bi
Ba Zn Bi Bi 0 3 o o o 0 2 o o o 0 1 o o + 1 2 - o - 1 3 o - - 