# generated using pymatgen
data_ZnPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01046042
_cell_length_b   6.01046042
_cell_length_c   7.49258835
_cell_angle_alpha   82.38528955
_cell_angle_beta   82.38528955
_cell_angle_gamma   119.99643820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPS3
_chemical_formula_sum   'Zn2 P2 S6'
_cell_volume   226.03806418
_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
  Zn  Zn0  1  0.33304100  0.66695900  0.00000000  1.0
  Zn  Zn1  1  0.66695900  0.33304100  0.00000000  1.0
  P  P2  1  0.94927500  0.94927500  0.15301700  1.0
  P  P3  1  0.05072500  0.05072500  0.84698300  1.0
  S  S4  1  0.92602500  0.59710900  0.22380100  1.0
  S  S5  1  0.40289100  0.07397500  0.77619900  1.0
  S  S6  1  0.74503100  0.74503100  0.77640300  1.0
  S  S7  1  0.25496900  0.25496900  0.22359700  1.0
  S  S8  1  0.07397500  0.40289100  0.77619900  1.0
  S  S9  1  0.59710900  0.92602500  0.22380100  1.0