data_Ti2CdAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.62
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   99.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdAs
_chemical_formula_sum   'Ti2 Cd1 As1'
_cell_volume   70.74
_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  0.99  0.0  0.91  1.0
  Ti  Ti3  1  0.1  0.31  0.54  1.0
  Cd  Cd1  1  0.35  0.31  0.06  1.0
  As  As0  1  0.99  0.0  0.16  1.0

data_Ti2CdAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.62
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   99.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdAs
_chemical_formula_sum   'Ti2 Cd1 As1'
_cell_volume   70.74
_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  0.1  0.31  0.54  1.0
  Ti  Ti1  1  0.99  0.0  0.91  1.0
  Cd  Cd2  1  0.35  0.31  0.06  1.0
  As  As3  1  0.99  0.0  0.16  1.0

Ti Ti Cd As