data_image0
_chemical_formula_structural       Mn2P2S6
_chemical_formula_sum              "Mn2 P2 S6"
_cell_length_a       6.059191235603643
_cell_length_b       6.059191235603643
_cell_length_c       6.930162210003818
_cell_angle_alpha    98.31712705303732
_cell_angle_beta     98.31712705303732
_cell_angle_gamma    119.99994188637791

_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  0.6673404936  0.33266122689999994  6.537427699481778e-20  1.0000
  Mn  Mn2       1.0  0.3326612269  0.6673404936000001  0.0  1.0000
  P   P1        1.0  0.05501051310000002  0.05501051310000003  0.16635855860000007  1.0000
  P   P2        1.0  0.9449887622000002  0.9449887622000002  0.8336417439000002  1.0000
  S   S1        1.0  0.7534916752000002  0.7534916752000002  0.24257670310000004  1.0000
  S   S2        1.0  0.4066881977  0.0803978283  0.2442324663000001  1.0000
  S   S3        1.0  0.08039782829999997  0.4066881977  0.2442324663000001  1.0000
  S   S4        1.0  0.9196030968000001  0.5933127274000001  0.7557678343000003  1.0000
  S   S5        1.0  0.5933127274  0.9196030968000001  0.7557678343000003  1.0000
  S   S6        1.0  0.24650760010000003  0.24650760010000003  0.7574235993  1.0000