data_Si2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   6.14
_cell_angle_alpha   110.22
_cell_angle_beta   110.22
_cell_angle_gamma   44.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2OsSe
_chemical_formula_sum   'Si2 Os1 Se1'
_cell_volume   67.83
_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  Si2  1  0.2  0.0  0.18  1.0
  Si  Si3  1  0.31  0.0  0.22  1.0
  Os  Os0  1  0.5  0.0  0.16  1.0
  Se  Se1  1  0.73  0.0  0.69  1.0

data_Si2OsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.13
_cell_length_c   6.1
_cell_angle_alpha   70.83
_cell_angle_beta   75.22
_cell_angle_gamma   67.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2OsSe
_chemical_formula_sum   'Si2 Os1 Se1'
_cell_volume   67.83
_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  0.02  0.18  1.0
  Si  Si1  1  0.0  0.09  0.22  1.0
  Os  Os2  1  0.0  0.34  0.16  1.0
  Se  Se3  1  0.0  0.03  0.69  1.0

Si Si Os Se
Si Si Os Se 0 1 o o o 0 3 o o o 0 3 - o - 1 2 o o o 1 3 o o o 1 3 - o - 2 3 o o o 2 3 o o - 2 3 - o - 3 3 + - o 