# generated using pymatgen
data_ZrS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65162466
_cell_length_b   5.17848427
_cell_length_c   9.19788831
_cell_angle_alpha   97.42242663
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrS3
_chemical_formula_sum   'Zr2 S6'
_cell_volume   172.47354776
_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  0.25000000  0.28475845  0.65178673  1.0
  Zr  Zr1  1  0.75000000  0.71524155  0.34821327  1.0
  S  S2  1  0.25000000  0.87426438  0.17590559  1.0
  S  S3  1  0.75000000  0.12573562  0.82409441  1.0
  S  S4  1  0.75000000  0.23786358  0.44720625  1.0
  S  S5  1  0.25000000  0.76213642  0.55279375  1.0
  S  S6  1  0.75000000  0.52338434  0.82381262  1.0
  S  S7  1  0.25000000  0.47661566  0.17618738  1.0