data_SiMo8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   97.81
_cell_angle_beta   97.81
_cell_angle_gamma   136.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMo8
_chemical_formula_sum   'Si1 Mo8'
_cell_volume   141.34
_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
  Si  Si8  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.29  0.71  0.23  1.0
  Mo  Mo1  1  0.71  0.29  0.23  1.0
  Mo  Mo2  1  0.6  0.0  0.0  1.0
  Mo  Mo3  1  0.29  0.29  0.23  1.0
  Mo  Mo4  1  0.0  0.6  0.0  1.0
  Mo  Mo5  1  0.69  0.69  0.0  1.0
  Mo  Mo6  1  0.36  0.0  0.0  1.0
  Mo  Mo7  1  0.0  0.36  0.0  1.0

data_SiMo8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   11.25
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   111.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiMo8
_chemical_formula_sum   'Si2 Mo16'
_cell_volume   282.69
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Mo  Mo1  4  0.0  0.29  0.77  1.0
  Mo  Mo2  4  0.2  0.2  0.0  1.0
  Mo  Mo3  4  0.32  0.32  0.0  1.0
  Mo  Mo4  2  0.21  0.5  0.77  1.0
  Mo  Mo5  2  0.31  0.0  0.0  1.0

Si Mo Mo Mo Mo Mo Mo Mo Mo