# generated using pymatgen
data_BaCe2FeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68659492
_cell_length_b   8.68659492
_cell_length_c   8.68659492
_cell_angle_alpha   126.57918051
_cell_angle_beta   126.57918051
_cell_angle_gamma   78.93828446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCe2FeS5
_chemical_formula_sum   'Ba2 Ce4 Fe2 S10'
_cell_volume   408.91281568
_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  0.75000000  0.75000000  0.00000000  1.0
  Ba  Ba1  1  0.25000000  0.25000000  0.00000000  1.0
  Ce  Ce2  1  0.83918600  0.66081400  0.50000000  1.0
  Ce  Ce3  1  0.66081400  0.16081400  0.82162700  1.0
  Ce  Ce4  1  0.33918600  0.83918600  0.17837300  1.0
  Ce  Ce5  1  0.16081400  0.33918600  0.50000000  1.0
  Fe  Fe6  1  0.25000000  0.75000000  0.50000000  1.0
  Fe  Fe7  1  0.75000000  0.25000000  0.50000000  1.0
  S  S8  1  0.98547300  0.48547300  0.20106600  1.0
  S  S9  1  0.71559300  0.21559300  0.20106600  1.0
  S  S10  1  0.01452700  0.51452700  0.79893400  1.0
  S  S11  1  0.51452700  0.71559300  0.50000000  1.0
  S  S12  1  0.21559300  0.01452700  0.50000000  1.0
  S  S13  1  0.48547300  0.28440700  0.50000000  1.0
  S  S14  1  0.78440700  0.98547300  0.50000000  1.0
  S  S15  1  0.28440700  0.78440700  0.79893400  1.0
  S  S16  1  0.00000000  0.00000000  0.00000000  1.0
  S  S17  1  0.50000000  0.50000000  0.00000000  1.0