data_TiZnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   3.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnBi
_chemical_formula_sum   'Ti1 Zn1 Bi1'
_cell_volume   63.95
_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
  Ti  Ti1  1  0.0  0.0  0.69  1.0
  Zn  Zn2  1  0.0  0.56  0.14  1.0
  Bi  Bi0  1  0.21  0.28  0.7  1.0

data_TiZnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnBi
_chemical_formula_sum   'Ti1 Zn1 Bi1'
_cell_volume   63.95
_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
  Ti  Ti0  1  0.69  0.0  0.0  1.0
  Zn  Zn1  1  0.14  0.0  0.56  1.0
  Bi  Bi2  1  0.7  0.21  0.28  1.0

Ti Zn Bi
Ti Zn Bi 0 2 o o o 0 1 o - + 0 1 o - o 0 1 o o + 1 2 o o - 1 2 o o o 