data_SrSiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05
_cell_length_b   9.05
_cell_length_c   9.05
_cell_angle_alpha   20.66
_cell_angle_beta   20.66
_cell_angle_gamma   20.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSiMo2
_chemical_formula_sum   'Sr1 Si1 Mo2'
_cell_volume   80.69
_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
  Sr  Sr3  1  0.0  0.0  0.56  1.0
  Si  Si2  1  0.0  0.0  0.9  1.0
  Mo  Mo0  1  0.0  0.0  0.43  1.0
  Mo  Mo1  1  0.0  0.0  0.94  1.0

data_SrSiMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.62
_cell_length_b   3.24
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   101.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSiMo2
_chemical_formula_sum   'Sr2 Si2 Mo4'
_cell_volume   161.38
_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
  Sr  Sr0  2  -0.0  0.0  0.44  1.0
  Si  Si1  2  -0.0  0.0  0.1  1.0
  Mo  Mo2  2  -0.0  0.0  0.06  1.0
  Mo  Mo3  2  -0.0  0.0  0.57  1.0

Sr Si Mo Mo