data_ZrTi2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   148.63
_cell_angle_beta   127.18
_cell_angle_gamma   62.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2Cd
_chemical_formula_sum   'Zr1 Ti2 Cd1'
_cell_volume   78.37
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.56  0.0  0.47  1.0
  Ti  Ti2  1  0.0  0.56  0.45  1.0
  Cd  Cd0  1  0.0  0.0  0.92  1.0

data_ZrTi2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.12
_cell_length_c   5.76
_cell_angle_alpha   116.41
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2Cd
_chemical_formula_sum   'Zr1 Ti2 Cd1'
_cell_volume   78.37
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.47  0.91  1.0
  Ti  Ti2  1  0.44  0.89  0.89  1.0
  Cd  Cd3  1  0.0  0.92  0.92  1.0

Zr Ti Ti Cd