data_U(Mo3S4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   88.83
_cell_angle_beta   88.83
_cell_angle_gamma   88.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U(Mo3S4)2
_chemical_formula_sum   'U1 Mo6 S8'
_cell_volume   271.26
_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
  U  U0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.36  0.59  0.85  1.0
  Mo  Mo2  1  0.54  0.15  0.85  1.0
  Mo  Mo3  1  0.1  0.26  0.85  1.0
  Mo  Mo4  1  0.64  0.41  0.6  1.0
  Mo  Mo5  1  0.46  0.85  0.6  1.0
  Mo  Mo6  1  0.9  0.74  0.6  1.0
  S  S7  1  0.0  0.0  0.7  1.0
  S  S8  1  0.0  0.0  0.74  1.0
  S  S9  1  0.15  0.6  0.67  1.0
  S  S10  1  0.77  0.73  0.67  1.0
  S  S11  1  0.08  0.67  0.67  1.0
  S  S12  1  0.85  0.4  0.77  1.0
  S  S13  1  0.23  0.27  0.77  1.0
  S  S14  1  0.92  0.33  0.77  1.0

data_U(Mo3S4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   88.83
_cell_angle_beta   88.83
_cell_angle_gamma   88.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U(Mo3S4)2
_chemical_formula_sum   'U1 Mo6 S8'
_cell_volume   271.26
_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
  U  U0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.15  0.54  0.4  1.0
  Mo  Mo2  1  0.26  0.1  0.4  1.0
  Mo  Mo3  1  0.41  0.64  0.15  1.0
  Mo  Mo4  1  0.59  0.36  0.4  1.0
  Mo  Mo5  1  0.74  0.9  0.15  1.0
  Mo  Mo6  1  0.85  0.46  0.15  1.0
  S  S7  1  0.0  0.0  0.26  1.0
  S  S8  1  0.0  0.0  0.3  1.0
  S  S9  1  0.27  0.23  0.33  1.0
  S  S10  1  0.33  0.92  0.33  1.0
  S  S11  1  0.4  0.85  0.33  1.0
  S  S12  1  0.6  0.15  0.23  1.0
  S  S13  1  0.67  0.08  0.23  1.0
  S  S14  1  0.73  0.77  0.23  1.0

U Mo Mo Mo Mo Mo Mo S S S S S S S S
U Mo Mo Mo Mo Mo Mo S S S S S S S S 0 8 o o - 0 7 o o - 0 3 o o - 1 13 o o o 1 11 o o o 1 9 o o o 1 5 o o o 2 5 o - o 2 13 o o o 2 14 o o o 2 12 o o o 2 4 o o o 3 13 o o o 4 14 o o o 4 12 o o o 4 10 o o o 5 11 o o o 5 9 o o o 5 10 o o o 6 10 o o o 7 8 o o o 9 11 o o o 12 14 o o o 