data_ZrCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   150.91
_cell_angle_beta   150.91
_cell_angle_gamma   41.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd3
_chemical_formula_sum   'Zr2 Cd6'
_cell_volume   172.09
_cell_formula_units_Z   2
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  Zr6  1  0.0  0.0  0.31  1.0
  Zr  Zr7  1  0.0  0.0  0.52  1.0
  Cd  Cd0  1  0.0  0.26  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.19  1.0
  Cd  Cd2  1  0.0  0.0  0.64  1.0
  Cd  Cd3  1  0.0  0.26  0.21  1.0
  Cd  Cd4  1  0.26  0.0  0.21  1.0
  Cd  Cd5  1  0.26  0.0  0.0  1.0

data_ZrCd3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   110.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCd3
_chemical_formula_sum   'Zr4 Cd12'
_cell_volume   344.19
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.02  0.5  0.52  1.0
  Zr  Zr1  2  0.31  0.0  0.31  1.0
  Cd  Cd2  4  0.08  0.13  0.95  1.0
  Cd  Cd3  4  0.37  0.37  0.74  1.0
  Cd  Cd4  2  0.14  0.5  0.64  1.0
  Cd  Cd5  2  0.19  0.0  0.19  1.0

Zr Zr Cd Cd Cd Cd Cd Cd