# generated using pymatgen
data_CeCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52903877
_cell_length_b   6.88586645
_cell_length_c   7.24042775
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.86570274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCuS2
_chemical_formula_sum   'Ce4 Cu4 S8'
_cell_volume   322.45319933
_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  0.31107309  0.19858505  0.55177745  1.0
  Ce  Ce1  1  0.68892691  0.30141495  0.05177745  1.0
  Ce  Ce2  1  0.68892691  0.80141495  0.44822255  1.0
  Ce  Ce3  1  0.31107309  0.69858505  0.94822255  1.0
  Cu  Cu4  1  0.93198418  0.95854375  0.83364859  1.0
  Cu  Cu5  1  0.06801582  0.04145625  0.16635141  1.0
  Cu  Cu6  1  0.06801582  0.54145625  0.33364859  1.0
  Cu  Cu7  1  0.93198418  0.45854375  0.66635141  1.0
  S  S8  1  0.08834073  0.27951499  0.88308682  1.0
  S  S9  1  0.91165927  0.22048501  0.38308682  1.0
  S  S10  1  0.91165927  0.72048501  0.11691318  1.0
  S  S11  1  0.08834073  0.77951499  0.61691318  1.0
  S  S12  1  0.59190119  0.49866462  0.72555310  1.0
  S  S13  1  0.59190119  -0.00133538  0.77444690  1.0
  S  S14  1  0.40809881  0.50133538  0.27444690  1.0
  S  S15  1  0.40809881  0.00133538  0.22555310  1.0