data_SrOsSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.66
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   99.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrOsSe2
_chemical_formula_sum   'Sr1 Os1 Se2'
_cell_volume   100.81
_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  0.59  0.0  0.29  1.0
  Os  Os0  1  0.57  0.33  0.16  1.0
  Se  Se1  1  0.56  0.0  0.55  1.0
  Se  Se2  1  0.53  0.33  0.66  1.0

data_SrOsSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.66
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   99.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrOsSe2
_chemical_formula_sum   'Sr1 Os1 Se2'
_cell_volume   100.81
_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  Sr0  1  0.59  0.0  0.29  1.0
  Os  Os1  1  0.57  0.33  0.16  1.0
  Se  Se2  1  0.53  0.33  0.66  1.0
  Se  Se3  1  0.56  0.0  0.55  1.0

Sr Os Se Se
Sr Os Se Se 0 1 o o o 0 2 o o o 2 3 o o o 