data_SiMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.65
_cell_angle_alpha   105.39
_cell_angle_beta   105.39
_cell_angle_gamma   38.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoCl2
_chemical_formula_sum   'Si1 Mo1 Cl2'
_cell_volume   90.15
_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  Si3  1  0.68  0.0  0.54  1.0
  Mo  Mo2  1  0.11  0.0  0.34  1.0
  Cl  Cl0  1  0.69  0.0  0.46  1.0
  Cl  Cl1  1  0.13  0.0  0.23  1.0

data_SiMoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.75
_cell_length_c   6.65
_cell_angle_alpha   105.39
_cell_angle_beta   90.0
_cell_angle_gamma   109.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoCl2
_chemical_formula_sum   'Si1 Mo1 Cl2'
_cell_volume   90.15
_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  Si0  1  0.0  0.32  0.46  1.0
  Mo  Mo1  1  0.0  0.89  0.66  1.0
  Cl  Cl2  1  0.0  0.31  0.54  1.0
  Cl  Cl3  1  0.0  0.87  0.77  1.0

Si Mo Cl Cl
Si Mo Cl Cl 0 2 o o o 1 3 o o o 