data_image0
_chemical_formula_structural       S2Zr
_chemical_formula_sum              "S2 Zr1"
_cell_length_a       3.6774410077078055
_cell_length_b       3.6777500616885317
_cell_length_c       5.943451008108589
_cell_angle_alpha    90.0000025648535
_cell_angle_beta     89.9949607581594
_cell_angle_gamma    120.00278829576894

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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
  S   S1        1.0  0.3334043394000001  0.6667016750000001  0.2463026372  1.0000
  S   S2        1.0  0.6665941438999999  0.3332980109  0.7536976993000001  1.0000
  Zr  Zr1       1.0  0.0  0.0  0.0  1.0000