# generated using pymatgen
data_Zr3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62331538
_cell_length_b   7.62331538
_cell_length_c   7.62331538
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3S4
_chemical_formula_sum   'Zr6 S8'
_cell_volume   313.26845370
_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  0.12500000  0.62500000  0.62500000  1.0
  Zr  Zr1  1  0.62500000  0.12500000  0.62500000  1.0
  Zr  Zr2  1  0.62500000  0.62500000  0.12500000  1.0
  Zr  Zr3  1  0.62500000  0.62500000  0.62500000  1.0
  Zr  Zr4  1  0.25000000  0.25000000  0.25000000  1.0
  Zr  Zr5  1  0.00000000  0.00000000  0.00000000  1.0
  S  S6  1  0.85758500  0.38080500  0.38080500  1.0
  S  S7  1  0.38080500  0.85758500  0.38080500  1.0
  S  S8  1  0.38080500  0.38080500  0.85758500  1.0
  S  S9  1  0.38080500  0.38080500  0.38080500  1.0
  S  S10  1  0.39241500  0.86919500  0.86919500  1.0
  S  S11  1  0.86919500  0.39241500  0.86919500  1.0
  S  S12  1  0.86919500  0.86919500  0.39241500  1.0
  S  S13  1  0.86919500  0.86919500  0.86919500  1.0