data_Hg(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   92.81
_cell_angle_beta   92.81
_cell_angle_gamma   92.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg(Mo3S4)2
_chemical_formula_sum   'Hg1 Mo6 S8'
_cell_volume   281.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.9  0.69  0.26  1.0
  Mo  Mo2  1  0.69  0.44  0.26  1.0
  Mo  Mo3  1  0.59  0.12  0.54  1.0
  Mo  Mo4  1  0.41  0.88  0.26  1.0
  Mo  Mo5  1  0.31  0.56  0.54  1.0
  Mo  Mo6  1  0.1  0.31  0.54  1.0
  S  S7  1  0.82  0.27  0.44  1.0
  S  S8  1  0.0  0.0  0.45  1.0
  S  S9  1  0.64  0.69  0.35  1.0
  S  S10  1  0.82  0.43  0.44  1.0
  S  S11  1  0.18  0.57  0.35  1.0
  S  S12  1  0.36  0.31  0.44  1.0
  S  S13  1  0.0  0.0  0.35  1.0
  S  S14  1  0.18  0.73  0.35  1.0

data_Hg(Mo3S4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   92.81
_cell_angle_beta   92.81
_cell_angle_gamma   92.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg(Mo3S4)2
_chemical_formula_sum   'Hg1 Mo6 S8'
_cell_volume   281.81
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.1  0.31  0.54  1.0
  Mo  Mo2  1  0.31  0.56  0.54  1.0
  Mo  Mo3  1  0.41  0.88  0.26  1.0
  Mo  Mo4  1  0.59  0.12  0.54  1.0
  Mo  Mo5  1  0.69  0.44  0.26  1.0
  Mo  Mo6  1  0.9  0.69  0.26  1.0
  S  S7  1  0.0  0.0  0.35  1.0
  S  S8  1  0.0  0.0  0.45  1.0
  S  S9  1  0.18  0.57  0.35  1.0
  S  S10  1  0.18  0.73  0.35  1.0
  S  S11  1  0.36  0.31  0.44  1.0
  S  S12  1  0.64  0.69  0.35  1.0
  S  S13  1  0.82  0.27  0.44  1.0
  S  S14  1  0.82  0.43  0.44  1.0

Hg Mo Mo Mo Mo Mo Mo S S S S S S S S