data_image0
_chemical_formula_structural       MnSMnPS3PS2
_chemical_formula_sum              "Mn2 S6 P2"
_cell_length_a       6.089940360909194
_cell_length_b       6.091255159953374
_cell_length_c       33.26415187406686
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.01234279418401

_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  0.667964255483298  0.01227294845854717  0.5000001215412491  1.0000
  S   S1        1.0  0.32777120780774643  0.005397891735850011  0.5487353277216855  1.0000
  Mn  Mn2       1.0  0.3346481416458313  0.3455394252982818  0.4999998774346195  1.0000
  P   P1        1.0  0.001379258226963364  0.6790003627044845  0.5332510348423725  1.0000
  S   S2        1.0  0.6751646349204972  0.6790723320950022  0.5487495066492526  1.0000
  S   S3        1.0  0.001451068745314323  0.3527721972190524  0.5487509682827907  1.0000
  S   S4        1.0  0.32744623965964176  0.6787370873743941  0.4512504962347271  1.0000
  P   P2        1.0  0.0012331133920604211  0.6788120413915958  0.466748968642855  1.0000
  S   S5        1.0  0.6748396898693843  0.3524159886442123  0.4512646736591745  1.0000
  S   S6        1.0  0.0011642793480017974  0.005041698128477422  0.4512490321961975  1.0000