data_image0
_chemical_formula_structural       MnS2
_chemical_formula_sum              "Mn1 S2"
_cell_length_a       3.349992622047122
_cell_length_b       3.349992622047122
_cell_length_c       17.77517072985769
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  1.2777900888696379e-18  0.0  0.5000000025356243  1.0000
  S   S1        1.0  0.6666666661782543  0.33333333296759127  0.5743032128998138  1.0000
  S   S2        1.0  0.3333333329675912  0.6666666659351825  0.42569678992110477  1.0000