# generated using pymatgen
data_Ba6S5Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16393184
_cell_length_b   10.16393153
_cell_length_c   9.10228240
_cell_angle_alpha   77.02011085
_cell_angle_beta   77.02011229
_cell_angle_gamma   25.83947542
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6S5Cl
_chemical_formula_sum   'Ba6 S5 Cl1'
_cell_volume   398.80746648
_cell_formula_units_Z   1
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  0.49983537  0.49983537  0.73700699  1.0
  Ba  Ba1  1  0.16776369  0.16776369  0.41730412  1.0
  Ba  Ba2  1  0.82842125  0.82842125  0.08658374  1.0
  Ba  Ba3  1  0.50016463  0.50016463  0.26299301  1.0
  Ba  Ba4  1  0.17157875  0.17157875  0.91341626  1.0
  Ba  Ba5  1  0.83223631  0.83223631  0.58269588  1.0
  S  S6  1  0.66440869  0.66440869  0.67048392  1.0
  S  S7  1  0.33559131  0.33559131  0.32951608  1.0
  S  S8  1  0.00000000  0.00000000  0.50000000  1.0
  S  S9  1  0.66467533  0.66467533  0.16550539  1.0
  S  S10  1  0.33532467  0.33532467  0.83449461  1.0
  Cl  Cl11  1  0.00000000  0.00000000  0.00000000  1.0