# generated using pymatgen
data_Ce2SbS5Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48691100
_cell_length_b   8.85921500
_cell_length_c   17.73000800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2SbS5Br
_chemical_formula_sum   'Ce8 Sb4 S20 Br4'
_cell_volume   861.85079956
_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  0.25000000  0.77687900  0.02970600  1.0
  Ce  Ce1  1  0.75000000  0.72312100  0.52970600  1.0
  Ce  Ce2  1  0.75000000  0.22312100  0.97029400  1.0
  Ce  Ce3  1  0.25000000  0.84495200  0.29970700  1.0
  Ce  Ce4  1  0.75000000  0.65504800  0.79970700  1.0
  Ce  Ce5  1  0.25000000  0.34495200  0.20029300  1.0
  Ce  Ce6  1  0.25000000  0.27687900  0.47029400  1.0
  Ce  Ce7  1  0.75000000  0.15504800  0.70029300  1.0
  Sb  Sb8  1  0.75000000  0.51350600  0.32880200  1.0
  Sb  Sb9  1  0.75000000  0.01350600  0.17119800  1.0
  Sb  Sb10  1  0.25000000  0.98649400  0.82880200  1.0
  Sb  Sb11  1  0.25000000  0.48649400  0.67119800  1.0
  S  S12  1  0.44073500  0.65537300  0.17325800  1.0
  S  S13  1  0.94073500  0.34462700  0.82674200  1.0
  S  S14  1  0.94073500  0.84462700  0.67325800  1.0
  S  S15  1  0.75000000  0.97975700  0.84482900  1.0
  S  S16  1  0.75000000  0.47975700  0.65517100  1.0
  S  S17  1  0.25000000  0.02024300  0.15517100  1.0
  S  S18  1  0.75000000  0.92523900  0.04109400  1.0
  S  S19  1  0.44073500  0.15537300  0.32674200  1.0
  S  S20  1  0.25000000  0.07476100  0.95890600  1.0
  S  S21  1  0.25000000  0.52024300  0.34482900  1.0
  S  S22  1  0.75000000  0.78717000  0.35758200  1.0
  S  S23  1  0.75000000  0.42523900  0.45890600  1.0
  S  S24  1  0.05926500  0.15537300  0.32674200  1.0
  S  S25  1  0.25000000  0.71283000  0.85758200  1.0
  S  S26  1  0.75000000  0.28717000  0.14241800  1.0
  S  S27  1  0.25000000  0.21283000  0.64241800  1.0
  S  S28  1  0.05926500  0.65537300  0.17325800  1.0
  S  S29  1  0.55926500  0.84462700  0.67325800  1.0
  S  S30  1  0.25000000  0.57476100  0.54109400  1.0
  S  S31  1  0.55926500  0.34462700  0.82674200  1.0
  Br  Br32  1  0.25000000  0.40365900  0.02794300  1.0
  Br  Br33  1  0.25000000  0.90365900  0.47205700  1.0
  Br  Br34  1  0.75000000  0.59634100  0.97205700  1.0
  Br  Br35  1  0.75000000  0.09634100  0.52794300  1.0