# generated using pymatgen
data_Ce2ZrS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41289223
_cell_length_b   8.08837526
_cell_length_c   11.59057401
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2ZrS5
_chemical_formula_sum   'Ce8 Zr4 S20'
_cell_volume   694.95058187
_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
  Ce  Ce0  1  0.54573006  0.50017456  0.32574742  1.0
  Ce  Ce1  1  0.95426994  -0.00017456  0.82574742  1.0
  Ce  Ce2  1  0.45426994  0.00017456  0.67425258  1.0
  Ce  Ce3  1  0.04573006  0.49982544  0.17425258  1.0
  Ce  Ce4  1  0.45426994  0.49982544  0.67425258  1.0
  Ce  Ce5  1  0.04573006  0.00017456  0.17425258  1.0
  Ce  Ce6  1  0.54573006  -0.00017456  0.32574742  1.0
  Ce  Ce7  1  0.95426994  0.50017456  0.82574742  1.0
  Zr  Zr8  1  0.07398946  0.75000000  0.49158573  1.0
  Zr  Zr9  1  0.42601054  0.75000000  0.99158573  1.0
  Zr  Zr10  1  0.92601054  0.25000000  0.50841427  1.0
  Zr  Zr11  1  0.57398946  0.25000000  0.00841427  1.0
  S  S12  1  0.82906266  0.96512637  0.58068554  1.0
  S  S13  1  0.67093734  0.53487363  0.08068554  1.0
  S  S14  1  0.17093734  0.46512637  0.41931446  1.0
  S  S15  1  0.32906266  0.03487363  0.91931446  1.0
  S  S16  1  0.17093734  0.03487363  0.41931446  1.0
  S  S17  1  0.32906266  0.46512637  0.91931446  1.0
  S  S18  1  0.82906266  0.53487363  0.58068554  1.0
  S  S19  1  0.67093734  0.96512637  0.08068554  1.0
  S  S20  1  0.85141310  0.75000000  0.31225060  1.0
  S  S21  1  0.64858690  0.75000000  0.81225060  1.0
  S  S22  1  0.14858690  0.25000000  0.68774940  1.0
  S  S23  1  0.35141310  0.25000000  0.18774940  1.0
  S  S24  1  0.44466809  0.75000000  0.49605432  1.0
  S  S25  1  0.05533191  0.75000000  0.99605432  1.0
  S  S26  1  0.55533191  0.25000000  0.50394568  1.0
  S  S27  1  0.94466809  0.25000000  0.00394568  1.0
  S  S28  1  0.17012414  0.75000000  0.70747168  1.0
  S  S29  1  0.32987586  0.75000000  0.20747168  1.0
  S  S30  1  0.82987586  0.25000000  0.29252832  1.0
  S  S31  1  0.67012414  0.25000000  0.79252832  1.0