data_ZrTaCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.38
_cell_angle_alpha   111.96
_cell_angle_beta   111.96
_cell_angle_gamma   31.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaCd2
_chemical_formula_sum   'Zr1 Ta1 Cd2'
_cell_volume   82.21
_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  0.2  0.0  0.36  1.0
  Ta  Ta2  1  0.19  0.0  0.82  1.0
  Cd  Cd0  1  0.89  0.0  0.35  1.0
  Cd  Cd1  1  0.74  0.0  0.9  1.0

data_ZrTaCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.38
_cell_length_c   5.61
_cell_angle_alpha   111.96
_cell_angle_beta   105.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaCd2
_chemical_formula_sum   'Zr1 Ta1 Cd2'
_cell_volume   82.21
_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  0.36  0.2  1.0
  Ta  Ta1  1  0.0  0.82  0.19  1.0
  Cd  Cd2  1  0.0  0.35  0.89  1.0
  Cd  Cd3  1  0.0  0.9  0.74  1.0

Zr Ta Cd Cd