data_TiCd2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   150.85
_cell_angle_beta   134.65
_cell_angle_gamma   54.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Sn
_chemical_formula_sum   'Ti1 Cd2 Sn1'
_cell_volume   85.7
_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
  Cd  Cd0  1  0.0  0.42  0.06  1.0
  Cd  Cd1  1  0.58  0.0  0.53  1.0
  Sn  Sn2  1  0.0  0.0  0.58  1.0

data_TiCd2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.85
_cell_length_c   6.29
_cell_angle_alpha   112.67
_cell_angle_beta   104.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCd2Sn
_chemical_formula_sum   'Ti1 Cd2 Sn1'
_cell_volume   85.7
_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
  Cd  Cd1  1  0.0  0.53  0.94  1.0
  Cd  Cd2  1  0.58  0.63  0.63  1.0
  Sn  Sn3  1  0.0  0.58  0.58  1.0

Ti Cd Cd Sn
Ti Cd Cd Sn 0 1 o o o 0 2 - o - 0 2 o o o 0 3 o o - 1 3 o o - 1 2 - o - 2 3 + o o 