data_TiNb2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   139.45
_cell_angle_beta   132.12
_cell_angle_gamma   64.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb2Cd
_chemical_formula_sum   'Ti1 Nb2 Cd1'
_cell_volume   73.29
_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  Ti3  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.86  0.0  0.19  1.0
  Nb  Nb2  1  0.0  0.18  0.35  1.0
  Cd  Cd0  1  0.0  0.0  0.53  1.0

data_TiNb2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.35
_cell_length_c   5.36
_cell_angle_alpha   113.94
_cell_angle_beta   110.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb2Cd
_chemical_formula_sum   'Ti1 Nb2 Cd1'
_cell_volume   73.29
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.65  0.83  0.83  1.0
  Nb  Nb2  1  0.67  0.81  0.67  1.0
  Cd  Cd3  1  0.47  0.47  0.47  1.0

Ti Nb Nb Cd