data_image0
_chemical_formula_structural       S4Mn4
_chemical_formula_sum              "S4 Mn4"
_cell_length_a       4.063400310359333
_cell_length_b       5.4464803116626666
_cell_length_c       18.26985054
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.00103361600728

_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  0.4891624585063311  0.45528291985945485  0.4102417807737577  1.0000
  S   S2        1.0  0.9891947505177465  0.23775867686278335  0.5897586866630163  1.0000
  S   S3        1.0  0.5205469354327692  0.7378002029302037  0.5897745242310011  1.0000
  S   S4        1.0  0.020512041024656185  0.9552388709635036  0.41022797989457443  1.0000
  Mn  Mn1       1.0  0.7232410416615966  0.006804262610941025  0.5114097616476724  1.0000
  Mn  Mn2       1.0  0.2864191103361661  0.18619025328919572  0.4885628708596978  1.0000
  Mn  Mn3       1.0  0.2232540436552522  0.6861937054645881  0.48858971782261773  1.0000
  Mn  Mn4       1.0  0.7864070247939783  0.5068101657049914  0.5114359184024282  1.0000