data_ZnNiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.76
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   99.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiBi2
_chemical_formula_sum   'Zn1 Ni1 Bi2'
_cell_volume   90.07
_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
  Zn  Zn3  1  0.4  0.0  0.63  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.8  0.88  0.65  1.0
  Bi  Bi1  1  0.3  0.88  0.61  1.0

data_ZnNiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.76
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   99.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiBi2
_chemical_formula_sum   'Zn1 Ni1 Bi2'
_cell_volume   90.07
_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
  Zn  Zn0  1  0.4  0.0  0.63  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.3  0.88  0.61  1.0
  Bi  Bi3  1  0.8  0.88  0.65  1.0

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