data_Sn2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   3.38
_cell_angle_alpha   98.04
_cell_angle_beta   98.04
_cell_angle_gamma   101.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2OsSe
_chemical_formula_sum   'Sn2 Os1 Se1'
_cell_volume   81.3
_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
  Sn  Sn2  1  0.21  0.05  0.65  1.0
  Sn  Sn3  1  0.21  0.95  0.65  1.0
  Os  Os0  1  0.17  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Sn2OsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   101.81
_cell_angle_beta   98.04
_cell_angle_gamma   98.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2OsSe
_chemical_formula_sum   'Sn2 Os1 Se1'
_cell_volume   81.3
_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
  Sn  Sn0  1  0.65  0.21  0.05  1.0
  Sn  Sn1  1  0.65  0.21  0.95  1.0
  Os  Os2  1  0.0  0.17  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sn Sn Os Se
Sn Sn Os Se 0 1 o - o 2 3 o o o 