data_Mo8Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   93.05
_cell_angle_beta   93.05
_cell_angle_gamma   153.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo8Rh
_chemical_formula_sum   'Mo8 Rh1'
_cell_volume   142.23
_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
  Mo  Mo0  1  0.13  0.0  0.0  1.0
  Mo  Mo1  1  0.33  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.13  0.0  1.0
  Mo  Mo3  1  0.12  0.12  0.0  1.0
  Mo  Mo4  1  0.61  0.39  0.59  1.0
  Mo  Mo5  1  0.0  0.33  0.0  1.0
  Mo  Mo6  1  0.39  0.61  0.59  1.0
  Mo  Mo7  1  0.61  0.61  0.59  1.0
  Rh  Rh8  1  0.0  0.0  0.0  1.0

data_Mo8Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.18
_cell_length_b   13.39
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   103.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mo8Rh
_chemical_formula_sum   'Mo16 Rh2'
_cell_volume   284.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mo  Mo0  4  0.0  0.39  0.41  1.0
  Mo  Mo1  4  0.34  0.34  -0.0  1.0
  Mo  Mo2  4  0.43  0.43  -0.0  1.0
  Mo  Mo3  2  0.38  0.5  -0.0  1.0
  Mo  Mo4  2  0.39  0.0  0.41  1.0
  Rh  Rh5  2  0.0  0.0  0.0  1.0

Mo Mo Mo Mo Mo Mo Mo Mo Rh
Mo Mo Mo Mo Mo Mo Mo Mo Rh 0 3 o o o 0 8 o o o 0 1 o o o 2 3 o o o 2 8 o o o 2 5 o o o 3 8 o o o 4 7 o o o 6 7 o o o 