# generated using pymatgen
data_Zr4NbSn3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.49735888
_cell_length_b   8.49735868
_cell_length_c   5.90888777
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4NbSn3S
_chemical_formula_sum   'Zr8 Nb2 Sn6 S2'
_cell_volume   369.49135457
_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  0.33333300  0.66666700  0.50000000  1.0
  Zr  Zr1  1  0.66666700  0.33333300  0.50000000  1.0
  Zr  Zr2  1  0.74851998  0.74851998  0.74995019  1.0
  Zr  Zr3  1  0.25148002  0.00000000  0.74995019  1.0
  Zr  Zr4  1  0.00000000  0.25148002  0.74995019  1.0
  Zr  Zr5  1  0.25148002  0.25148002  0.25004981  1.0
  Zr  Zr6  1  0.74851998  0.00000000  0.25004981  1.0
  Zr  Zr7  1  1.00000000  0.74851998  0.25004981  1.0
  Nb  Nb8  1  0.66666700  0.33333300  0.00000000  1.0
  Nb  Nb9  1  0.33333300  0.66666700  0.00000000  1.0
  Sn  Sn10  1  0.40197061  0.40197061  0.75734889  1.0
  Sn  Sn11  1  0.59802939  0.00000000  0.75734889  1.0
  Sn  Sn12  1  1.00000000  0.59802939  0.75734889  1.0
  Sn  Sn13  1  0.59802939  0.59802939  0.24265111  1.0
  Sn  Sn14  1  0.40197061  0.00000000  0.24265111  1.0
  Sn  Sn15  1  0.00000000  0.40197061  0.24265111  1.0
  S  S16  1  0.00000000  0.00000000  0.00000000  1.0
  S  S17  1  0.00000000  0.00000000  0.50000000  1.0