# generated using pymatgen
data_Zr2P3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60458374
_cell_length_b   3.60458374
_cell_length_c   7.84508055
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2P3S
_chemical_formula_sum   'Zr2 P3 S1'
_cell_volume   101.93131939
_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
  Zr  Zr0  1  0.50000000  0.50000000  0.26656355  1.0
  Zr  Zr1  1  0.00000000  -0.00000000  0.73393773  1.0
  P  P2  1  0.50000000  -0.00000000  0.99830879  1.0
  P  P3  1  -0.00000000  0.50000000  0.99830879  1.0
  P  P4  1  -0.00000000  0.00000000  0.37925725  1.0
  S  S5  1  0.50000000  0.50000000  0.62362388  1.0