data_SrSiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69
_cell_length_b   9.69
_cell_length_c   9.69
_cell_angle_alpha   17.92
_cell_angle_beta   17.92
_cell_angle_gamma   17.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSiMo2
_chemical_formula_sum   'Sr1 Si1 Mo2'
_cell_volume   75.17
_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  0.3  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.59  1.0
  Mo  Mo1  1  0.0  0.0  0.01  1.0

data_SrSiMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   3.02
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   100.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSiMo2
_chemical_formula_sum   'Sr2 Si2 Mo4'
_cell_volume   150.34
_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  0.7  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.41  1.0
  Mo  Mo3  2  0.0  0.0  0.99  1.0

Sr Si Mo Mo