data_image0
_chemical_formula_structural       P2S5
_chemical_formula_sum              "P2 S5"
_cell_length_a       6.016290539283286
_cell_length_b       6.016290544759384
_cell_length_c       17.98167552
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000002469156

_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
  P   P1        1.0  0.3333333303715194  0.6666666696078645  0.495722561564719  1.0000
  P   P2        1.0  0.6666666698451631  0.3333333290442265  0.49572254154433765  1.0000
  S   S1        1.0  0.6169392494856728  0.9999999999977344  0.4351489371108394  1.0000
  S   S2        1.0  0.9999999998885628  0.6169392399277197  0.4351489271006488  1.0000
  S   S3        1.0  0.38306077027402  0.38306075104947745  0.4351489271006488  1.0000
  S   S4        1.0  0.3333333303715194  0.6666666696078645  0.6015540108022147  1.0000
  S   S5        1.0  0.6666666698451631  0.3333333290442265  0.6015540108022147  1.0000