data_SrOsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   37.17
_cell_angle_beta   37.17
_cell_angle_gamma   37.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrOsSe2
_chemical_formula_sum   'Sr1 Os1 Se2'
_cell_volume   86.73
_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  0.0  1.0
  Os  Os0  1  0.0  0.0  0.96  1.0
  Se  Se1  1  0.0  0.0  0.86  1.0
  Se  Se2  1  0.0  0.0  0.05  1.0

data_SrOsSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.09
_cell_length_b   4.09
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   111.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrOsSe2
_chemical_formula_sum   'Sr2 Os2 Se4'
_cell_volume   173.46
_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  0.0  1.0
  Os  Os1  2  0.0  0.0  0.04  1.0
  Se  Se2  2  0.0  0.0  0.14  1.0
  Se  Se3  2  0.0  0.0  0.95  1.0

Sr Os Se Se