data_image0
_chemical_formula_structural       MnSMnS
_chemical_formula_sum              "Mn2 S2"
_cell_length_a       3.3532808328925765
_cell_length_b       4.839851064643604
_cell_length_c       16.9711719
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  2.2609081709691875e-17  0.9998182753997483  0.50006088265478  1.0000
  S   S1        1.0  3.4033365168893665e-17  0.3672114836308239  0.5874430627857821  1.0000
  Mn  Mn2       1.0  0.5000000010597716  0.500035395237562  0.5000202107433723  1.0000
  S   S2        1.0  3.1534701352009584e-17  0.6330758527639995  0.4126002147205874  1.0000