# generated using pymatgen
data_BaLa2FeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81711954
_cell_length_b   8.81711954
_cell_length_c   8.81711954
_cell_angle_alpha   125.95357441
_cell_angle_beta   125.95357441
_cell_angle_gamma   79.96445718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLa2FeS5
_chemical_formula_sum   'Ba2 La4 Fe2 S10'
_cell_volume   433.70154191
_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
  La  La2  1  0.83714800  0.66285200  0.50000000  1.0
  La  La3  1  0.66285200  0.16285200  0.82570400  1.0
  La  La4  1  0.33714800  0.83714800  0.17429600  1.0
  La  La5  1  0.16285200  0.33714800  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  0.98917100  0.48917100  0.20393500  1.0
  S  S9  1  0.71476300  0.21476300  0.20393500  1.0
  S  S10  1  0.01082900  0.51082900  0.79606500  1.0
  S  S11  1  0.51082900  0.71476300  0.50000000  1.0
  S  S12  1  0.21476300  0.01082900  0.50000000  1.0
  S  S13  1  0.48917100  0.28523700  0.50000000  1.0
  S  S14  1  0.78523700  0.98917100  0.50000000  1.0
  S  S15  1  0.28523700  0.78523700  0.79606500  1.0
  S  S16  1  0.00000000  0.00000000  0.00000000  1.0
  S  S17  1  0.50000000  0.50000000  0.00000000  1.0