data_image0
_chemical_formula_structural       Mn2S2
_chemical_formula_sum              "Mn2 S2"
_cell_length_a       3.5361679983938403
_cell_length_b       3.5361683408734113
_cell_length_c       18.117857139999998
_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  1.833789200235943e-18  0.0  0.5000000502266904  1.0000
  Mn  Mn2       1.0  0.5000000002271046  0.4999999998765031  0.5000000463630988  1.0000
  S   S1        1.0  1.8516572026591763e-18  0.4999999998765031  0.42315590253075597  1.0000
  S   S2        1.0  0.5000000002271046  0.0  0.5768441968187416  1.0000