data_GaGe(MoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   7.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGe(MoS2)4
_chemical_formula_sum   'Ga1 Ge1 Mo4 S8'
_cell_volume   299.21
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.96  0.96  0.96  1.0
  Mo  Mo2  1  0.32  0.3  0.32  1.0
  Mo  Mo3  1  0.3  0.3  0.3  1.0
  Mo  Mo4  1  0.3  0.32  0.32  1.0
  Mo  Mo5  1  0.32  0.32  0.3  1.0
  S  S6  1  0.66  0.27  0.66  1.0
  S  S7  1  0.27  0.27  0.27  1.0
  S  S8  1  0.27  0.66  0.66  1.0
  S  S9  1  0.66  0.66  0.27  1.0
  S  S10  1  0.63  0.99  0.63  1.0
  S  S11  1  0.99  0.99  0.99  1.0
  S  S12  1  0.99  0.63  0.63  1.0
  S  S13  1  0.63  0.63  0.99  1.0

data_GaGe(MoS2)4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   18.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaGe(MoS2)4
_chemical_formula_sum   'Ga3 Ge3 Mo12 S24'
_cell_volume   897.64
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Ge  Ge1  3  0.0  0.0  0.04  1.0
  Mo  Mo2  9  0.01  0.01  0.69  1.0
  Mo  Mo3  3  0.0  0.0  0.7  1.0
  S  S4  9  0.09  0.55  0.92  1.0
  S  S5  9  0.2  0.41  0.14  1.0
  S  S6  3  0.0  0.0  0.01  1.0
  S  S7  3  0.0  0.0  0.73  1.0

Ga Ge Mo Mo Mo Mo S S S S S S S S