data_TiZnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.39
_cell_angle_alpha   104.29
_cell_angle_beta   104.29
_cell_angle_gamma   31.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnBi2
_chemical_formula_sum   'Ti1 Zn1 Bi2'
_cell_volume   93.98
_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  Ti2  1  0.61  0.0  0.74  1.0
  Zn  Zn3  1  0.48  0.0  0.2  1.0
  Bi  Bi0  1  0.16  0.0  0.3  1.0
  Bi  Bi1  1  0.58  0.0  0.59  1.0

data_TiZnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.39
_cell_length_c   5.86
_cell_angle_alpha   104.29
_cell_angle_beta   105.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnBi2
_chemical_formula_sum   'Ti1 Zn1 Bi2'
_cell_volume   93.98
_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  0.0  0.74  0.61  1.0
  Zn  Zn1  1  0.0  0.2  0.48  1.0
  Bi  Bi2  1  0.0  0.3  0.16  1.0
  Bi  Bi3  1  0.0  0.59  0.58  1.0

Ti Zn Bi Bi
Ti Zn Bi Bi 0 3 o o o 1 2 o o o 1 3 o o o 