# generated using pymatgen
data_Hf4Zr6Sn6S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78877322
_cell_length_b   8.51625989
_cell_length_c   8.51627891
_cell_angle_alpha   120.00001352
_cell_angle_beta   90.00016696
_cell_angle_gamma   89.99970601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Zr6Sn6S
_chemical_formula_sum   'Hf4 Zr6 Sn6 S1'
_cell_volume   363.59331643
_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
  Hf  Hf0  1  0.49999987  0.33333385  0.66666605  1.0
  Hf  Hf1  1  0.49999984  0.66666742  0.33333435  1.0
  Hf  Hf2  1  1.00000000  0.66666634  0.33333201  1.0
  Hf  Hf3  1  0.00000056  0.33333565  0.66666941  1.0
  Zr  Zr4  1  0.75704512  0.25095151  0.00003573  1.0
  Zr  Zr5  1  0.75703532  0.74908038  0.74904657  1.0
  Zr  Zr6  1  0.75703741  0.99996020  0.25091614  1.0
  Zr  Zr7  1  0.24295864  0.74908430  0.00003524  1.0
  Zr  Zr8  1  0.24296234  0.25095684  0.25091819  1.0
  Zr  Zr9  1  0.24296274  0.99996564  0.74904547  1.0
  Sn  Sn10  1  0.75065406  0.60497930  0.00001921  1.0
  Sn  Sn11  1  0.75065758  0.39503806  0.39501880  1.0
  Sn  Sn12  1  0.75065687  0.99997908  0.60496199  1.0
  Sn  Sn13  1  0.24934770  0.39503947  0.00001920  1.0
  Sn  Sn14  1  0.24934234  0.60498448  0.60496263  1.0
  Sn  Sn15  1  0.24934240  0.99998036  0.39501829  1.0
  S  S16  1  0.49999921  0.00000112  0.99999970  1.0