# generated using pymatgen
data_Ce3TiAlS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07569626
_cell_length_b   10.07569626
_cell_length_c   6.11129200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000172
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3TiAlS7
_chemical_formula_sum   'Ce6 Ti2 Al2 S14'
_cell_volume   537.29622973
_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
  Ce  Ce0  1  0.77018600  0.13838800  0.73711700  1.0
  Ce  Ce1  1  0.36820300  0.22981400  0.73711700  1.0
  Ce  Ce2  1  0.86161200  0.63179700  0.73711700  1.0
  Ce  Ce3  1  0.22981400  0.86161200  0.23711700  1.0
  Ce  Ce4  1  0.63179700  0.77018600  0.23711700  1.0
  Ce  Ce5  1  0.13838800  0.36820300  0.23711700  1.0
  Ti  Ti6  1  0.00000000  0.00000000  0.54331100  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.04331100  1.0
  Al  Al8  1  0.66666700  0.33333300  0.16215800  1.0
  Al  Al9  1  0.33333300  0.66666700  0.66215800  1.0
  S  S10  1  0.85903700  0.08783800  0.29523700  1.0
  S  S11  1  0.22880000  0.14096300  0.29523700  1.0
  S  S12  1  0.91216200  0.77120000  0.29523700  1.0
  S  S13  1  0.14096300  0.91216200  0.79523700  1.0
  S  S14  1  0.77120000  0.85903700  0.79523700  1.0
  S  S15  1  0.08783800  0.22880000  0.79523700  1.0
  S  S16  1  0.90278400  0.41885300  0.01171700  1.0
  S  S17  1  0.51606900  0.09721600  0.01171700  1.0
  S  S18  1  0.58114700  0.48393100  0.01171700  1.0
  S  S19  1  0.09721600  0.58114700  0.51171700  1.0
  S  S20  1  0.48393100  0.90278400  0.51171700  1.0
  S  S21  1  0.41885300  0.51606900  0.51171700  1.0
  S  S22  1  0.66666700  0.33333300  0.52854400  1.0
  S  S23  1  0.33333300  0.66666700  0.02854400  1.0