data_Ti2MnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.96
_cell_angle_alpha   100.11
_cell_angle_beta   100.11
_cell_angle_gamma   33.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnCd
_chemical_formula_sum   'Ti2 Mn1 Cd1'
_cell_volume   66.73
_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  0.47  0.0  0.78  1.0
  Ti  Ti3  1  0.95  0.0  0.23  1.0
  Mn  Mn1  1  0.71  0.0  0.76  1.0
  Cd  Cd0  1  0.4  0.0  0.43  1.0

data_Ti2MnCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.96
_cell_length_c   4.97
_cell_angle_alpha   100.11
_cell_angle_beta   106.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MnCd
_chemical_formula_sum   'Ti2 Mn1 Cd1'
_cell_volume   66.73
_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  0.23  0.95  1.0
  Ti  Ti1  1  0.0  0.78  0.47  1.0
  Mn  Mn2  1  0.0  0.76  0.71  1.0
  Cd  Cd3  1  0.0  0.43  0.4  1.0

Ti Ti Mn Cd