data_image0
_chemical_formula_structural       Mn2S4
_chemical_formula_sum              "Mn2 S4"
_cell_length_a       3.2834702209565956
_cell_length_b       4.751014097921058
_cell_length_c       34.34
_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  0.0  1.1257710339016036e-35  0.467218202970297  1.0000
  Mn  Mn2       1.0  0.4999999998543316  0.5000000002187892  0.5327817970297029  1.0000
  S   S1        1.0  0.4999999998543316  1.2481085388011905e-35  0.5180106622015143  1.0000
  S   S2        1.0  0.0  0.5000000002187892  0.4819893377984857  1.0000
  S   S3        1.0  0.4999999998543316  1.0188384135137094e-35  0.42285883051834594  1.0000
  S   S4        1.0  0.0  0.5000000002187892  0.5771411694816541  1.0000