data_Zr2Cd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cd3
_chemical_formula_sum   'Zr2 Cd3'
_cell_volume   126.86
_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  0.45  0.41  0.85  1.0
  Zr  Zr4  1  0.0  0.83  0.25  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.45  0.41  0.89  1.0
  Cd  Cd2  1  0.0  0.83  0.21  1.0

data_Zr2Cd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cd3
_chemical_formula_sum   'Zr2 Cd3'
_cell_volume   126.86
_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  0.83  0.25  1.0
  Zr  Zr1  1  0.45  0.41  0.85  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.83  0.21  1.0
  Cd  Cd4  1  0.45  0.41  0.89  1.0

Zr Zr Cd Cd Cd