data_image0
_chemical_formula_structural       S4Zr6
_chemical_formula_sum              "S4 Zr6"
_cell_length_a       6.211134
_cell_length_b       6.211134146956495
_cell_length_c       6.9615383734213525
_cell_angle_alpha    116.49396560708884
_cell_angle_beta     63.5060346181488
_cell_angle_gamma    119.99999921732785

_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  0.6600545336  0.3399459494  0.0198378482  1.0000
  S   S2        1.0  0.8399452215999998  0.16005413440000002  0.48016240320000003  1.0000
  S   S3        1.0  0.1600539668  0.8399460332  0.5198380996  1.0000
  S   S4        1.0  0.3399462648  0.6600542182  0.9801626546  1.0000
  Zr  Zr1       1.0  0.2499993602  0.0743186885  0.2500001257  1.0000
  Zr  Zr2       1.0  0.9256802671  0.4256795362  0.2500001257  1.0000
  Zr  Zr3       1.0  0.5743207665  0.7500000419  0.2500001257  1.0000
  Zr  Zr4       1.0  0.4256800318999999  0.2500001257  0.7500003771  1.0000
  Zr  Zr5       1.0  0.07432053130000002  0.5743206314  0.7500003771  1.0000
  Zr  Zr6       1.0  0.7499988987  0.9256796199999999  0.7500003771  1.0000