data_SiMoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoOs2
_chemical_formula_sum   'Si1 Mo1 Os2'
_cell_volume   58.52
_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  0.0  0.0  0.34  1.0
  Mo  Mo0  1  0.46  0.0  0.23  1.0
  Os  Os1  1  0.0  0.0  0.04  1.0
  Os  Os2  1  0.46  0.0  0.24  1.0

data_SiMoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoOs2
_chemical_formula_sum   'Si1 Mo1 Os2'
_cell_volume   58.52
_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  0.34  1.0
  Mo  Mo1  1  0.46  0.0  0.23  1.0
  Os  Os2  1  0.0  0.0  0.04  1.0
  Os  Os3  1  0.46  0.0  0.24  1.0

Si Mo Os Os