data_SiMo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMo5
_chemical_formula_sum   'Si1 Mo5'
_cell_volume   91.7
_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  Si5  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.21  0.88  0.21  1.0
  Mo  Mo1  1  0.21  0.4  0.0  1.0
  Mo  Mo2  1  0.21  0.0  0.21  1.0
  Mo  Mo3  1  0.21  0.6  0.0  1.0
  Mo  Mo4  1  0.21  0.12  0.21  1.0

data_SiMo5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.42
_cell_length_c   5.19
_cell_angle_alpha   115.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMo5
_chemical_formula_sum   'Si1 Mo5'
_cell_volume   91.7
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.4  0.61  1.0
  Mo  Mo2  1  0.0  0.6  0.81  1.0
  Mo  Mo3  1  0.21  0.0  0.21  1.0
  Mo  Mo4  1  0.21  0.12  0.33  1.0
  Mo  Mo5  1  0.21  0.88  0.09  1.0

Si Mo Mo Mo Mo Mo