data_image0
_chemical_formula_structural       SnS2
_chemical_formula_sum              "Sn1 S2"
_cell_length_a       3.781565649595928
_cell_length_b       3.7815656495958523
_cell_length_c       18.45068109219035
_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
  Sn  Sn1       1.0  0.0  0.0  0.5000000002116358  1.0000
  S   S1        1.0  0.0  0.49999999873123296  0.58330364533564  1.0000
  S   S2        1.0  0.49999999873122297  2.9835318479551055e-20  0.41669635454564613  1.0000