data_image0
_chemical_formula_structural       Mn4S6
_chemical_formula_sum              "Mn4 S6"
_cell_length_a       5.705302001481867
_cell_length_b       5.708883157816159
_cell_length_c       6.229522366091481
_cell_angle_alpha    117.26594487012538
_cell_angle_beta     62.74438983089008
_cell_angle_gamma    119.98010890684073

_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
  Mn  Mn1       1.0  0.6577075149000001  0.3422905768  0.026860917499999998  1.0000
  Mn  Mn2       1.0  0.8422789964  0.15769990110000004  0.47313690700000005  1.0000
  Mn  Mn3       1.0  0.15771883060000008  0.8422987463000001  0.5268632821  1.0000
  Mn  Mn4       1.0  0.34229206489999997  0.6577080707  0.9731392715000001  1.0000
  S   S1        1.0  0.9293355521  0.4293469348000001  0.24998387730000002  1.0000
  S   S2        1.0  0.5706686912000001  0.7500271767000001  0.25000588960000003  1.0000
  S   S3        1.0  0.2499942914  0.07065953100000001  0.2500099987  1.0000
  S   S4        1.0  0.7500052883000001  0.9293391165  0.7499901903  1.0000
  S   S5        1.0  0.4293302581  0.24997210140000004  0.7499961911000002  1.0000
  S   S6        1.0  0.07066339719999998  0.5706523433  0.7500182033000001  1.0000