# generated using pymatgen
data_Zr3Ti2Sn3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41718755
_cell_length_b   8.41718778
_cell_length_c   5.80885881
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ti2Sn3S
_chemical_formula_sum   'Zr6 Ti4 Sn6 S2'
_cell_volume   356.41460621
_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
  Zr  Zr0  1  0.74699551  0.74699551  0.75000000  1.0
  Zr  Zr1  1  0.25300449  1.00000000  0.75000000  1.0
  Zr  Zr2  1  1.00000000  0.25300449  0.75000000  1.0
  Zr  Zr3  1  0.25300449  0.25300449  0.25000000  1.0
  Zr  Zr4  1  0.74699551  0.00000000  0.25000000  1.0
  Zr  Zr5  1  0.00000000  0.74699551  0.25000000  1.0
  Ti  Ti6  1  0.66666700  0.33333300  0.00000000  1.0
  Ti  Ti7  1  0.33333300  0.66666700  0.00000000  1.0
  Ti  Ti8  1  0.33333300  0.66666700  0.50000000  1.0
  Ti  Ti9  1  0.66666700  0.33333300  0.50000000  1.0
  Sn  Sn10  1  0.40388723  0.40388723  0.75000000  1.0
  Sn  Sn11  1  0.59611277  0.00000000  0.75000000  1.0
  Sn  Sn12  1  0.00000000  0.59611277  0.75000000  1.0
  Sn  Sn13  1  0.59611277  0.59611277  0.25000000  1.0
  Sn  Sn14  1  0.40388723  1.00000000  0.25000000  1.0
  Sn  Sn15  1  1.00000000  0.40388723  0.25000000  1.0
  S  S16  1  0.00000000  0.00000000  0.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.50000000  1.0