data_Ti2CdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   4.9
_cell_angle_alpha   113.19
_cell_angle_beta   113.19
_cell_angle_gamma   30.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdBr
_chemical_formula_sum   'Ti2 Cd1 Br1'
_cell_volume   80.17
_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  0.15  0.0  0.25  1.0
  Ti  Ti3  1  0.29  0.0  0.33  1.0
  Cd  Cd1  1  0.28  0.0  0.19  1.0
  Br  Br0  1  0.13  0.0  0.42  1.0

data_Ti2CdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.9
_cell_length_c   5.98
_cell_angle_alpha   113.19
_cell_angle_beta   105.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdBr
_chemical_formula_sum   'Ti2 Cd1 Br1'
_cell_volume   80.17
_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  0.25  0.15  1.0
  Ti  Ti1  1  0.0  0.33  0.29  1.0
  Cd  Cd2  1  0.0  0.19  0.28  1.0
  Br  Br3  1  0.0  0.42  0.13  1.0

Ti Ti Cd Br