# generated using pymatgen
data_Zr3Cd3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32462506
_cell_length_b   9.32462457
_cell_length_c   9.32462509
_cell_angle_alpha   60.00000163
_cell_angle_beta   60.00000337
_cell_angle_gamma   60.00000051
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cd3S
_chemical_formula_sum   'Zr12 Cd12 S4'
_cell_volume   573.29629157
_cell_formula_units_Z   4
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  0.80908736  0.19091264  0.19091264  1.0
  Zr  Zr1  1  0.19091264  0.80908736  0.19091264  1.0
  Zr  Zr2  1  0.80908736  0.80908736  0.19091264  1.0
  Zr  Zr3  1  0.19091264  0.80908736  0.80908736  1.0
  Zr  Zr4  1  0.80908736  0.19091264  0.80908736  1.0
  Zr  Zr5  1  0.19091264  0.19091264  0.80908736  1.0
  Zr  Zr6  1  0.44091264  0.05908736  0.05908736  1.0
  Zr  Zr7  1  0.05908736  0.44091264  0.05908736  1.0
  Zr  Zr8  1  0.44091264  0.44091264  0.05908736  1.0
  Zr  Zr9  1  0.05908736  0.44091264  0.44091264  1.0
  Zr  Zr10  1  0.44091264  0.05908736  0.44091264  1.0
  Zr  Zr11  1  0.05908736  0.05908736  0.44091264  1.0
  Cd  Cd12  1  0.41299649  0.41299649  0.76100852  1.0
  Cd  Cd13  1  0.41299649  0.41299649  0.41299649  1.0
  Cd  Cd14  1  0.76100852  0.41299649  0.41299649  1.0
  Cd  Cd15  1  0.41299649  0.76100852  0.41299649  1.0
  Cd  Cd16  1  0.83700351  0.83700351  0.48899148  1.0
  Cd  Cd17  1  0.83700351  0.83700351  0.83700351  1.0
  Cd  Cd18  1  0.48899148  0.83700351  0.83700351  1.0
  Cd  Cd19  1  0.83700351  0.48899148  0.83700351  1.0
  Cd  Cd20  1  0.62500000  0.62500000  0.12500000  1.0
  Cd  Cd21  1  0.62500000  0.62500000  0.62500000  1.0
  Cd  Cd22  1  0.12500000  0.62500000  0.62500000  1.0
  Cd  Cd23  1  0.62500000  0.12500000  0.62500000  1.0
  S  S24  1  0.12500000  0.12500000  0.62500000  1.0
  S  S25  1  0.12500000  0.12500000  0.12500000  1.0
  S  S26  1  0.62500000  0.12500000  0.12500000  1.0
  S  S27  1  0.12500000  0.62500000  0.12500000  1.0