# generated using pymatgen
data_Zr2PS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86938100
_cell_length_b   2.86938100
_cell_length_c   14.57111900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2PS2
_chemical_formula_sum   'Zr2 P1 S2'
_cell_volume   119.96908361
_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  0.17807700  1.0
  Zr  Zr1  1  0.50000000  0.50000000  0.82192300  1.0
  P  P2  1  0.50000000  0.50000000  0.00000000  1.0
  S  S3  1  0.50000000  0.50000000  0.65322600  1.0
  S  S4  1  0.50000000  0.50000000  0.34677400  1.0