# generated using pymatgen
data_BaCe2ZnS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84148660
_cell_length_b   8.84148660
_cell_length_c   8.84148660
_cell_angle_alpha   127.13632429
_cell_angle_beta   127.13632429
_cell_angle_gamma   78.02838760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCe2ZnS5
_chemical_formula_sum   'Ba2 Ce4 Zn2 S10'
_cell_volume   425.62838521
_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
  Ba  Ba0  1  0.25000000  0.25000000  0.00000000  1.0
  Ba  Ba1  1  0.75000000  0.75000000  0.00000000  1.0
  Ce  Ce2  1  0.34082400  0.15917600  0.50000000  1.0
  Ce  Ce3  1  0.15917600  0.65917600  0.81835100  1.0
  Ce  Ce4  1  0.84082400  0.34082400  0.18164900  1.0
  Ce  Ce5  1  0.65917600  0.84082400  0.50000000  1.0
  Zn  Zn6  1  0.75000000  0.25000000  0.50000000  1.0
  Zn  Zn7  1  0.25000000  0.75000000  0.50000000  1.0
  S  S8  1  0.48329000  0.98329000  0.19916800  1.0
  S  S9  1  0.21587800  0.71587800  0.19916800  1.0
  S  S10  1  0.51671000  0.01671000  0.80083200  1.0
  S  S11  1  0.01671000  0.21587800  0.50000000  1.0
  S  S12  1  0.71587800  0.51671000  0.50000000  1.0
  S  S13  1  0.98329000  0.78412200  0.50000000  1.0
  S  S14  1  0.28412200  0.48329000  0.50000000  1.0
  S  S15  1  0.78412200  0.28412200  0.80083200  1.0
  S  S16  1  0.50000000  0.50000000  0.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.00000000  1.0