data_Ti2BiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   6.31
_cell_angle_alpha   107.82
_cell_angle_beta   107.82
_cell_angle_gamma   41.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiCl
_chemical_formula_sum   'Ti2 Bi1 Cl1'
_cell_volume   84.93
_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  0.73  0.0  0.54  1.0
  Ti  Ti3  1  0.84  0.0  0.42  1.0
  Bi  Bi0  1  0.28  0.0  0.98  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Ti2BiCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.62
_cell_length_c   6.31
_cell_angle_alpha   107.82
_cell_angle_beta   90.0
_cell_angle_gamma   110.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BiCl
_chemical_formula_sum   'Ti2 Bi1 Cl1'
_cell_volume   84.93
_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  0.16  0.58  1.0
  Ti  Ti1  1  0.0  0.27  0.46  1.0
  Bi  Bi2  1  0.0  0.72  0.02  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ti Ti Bi Cl
Ti Ti Bi Cl 0 1 o o o 2 3 o o + 