data_Os3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.47
_cell_angle_alpha   91.31
_cell_angle_beta   91.31
_cell_angle_gamma   33.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Se
_chemical_formula_sum   'Os3 Se1'
_cell_volume   61.08
_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
  Os  Os0  1  0.74  0.0  0.23  1.0
  Os  Os1  1  0.43  0.0  0.19  1.0
  Os  Os2  1  0.04  0.0  0.28  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Os3Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.47
_cell_length_c   5.0
_cell_angle_alpha   91.31
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os3Se
_chemical_formula_sum   'Os3 Se1'
_cell_volume   61.08
_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
  Os  Os0  1  0.0  0.19  0.43  1.0
  Os  Os1  1  0.0  0.23  0.74  1.0
  Os  Os2  1  0.0  0.28  0.04  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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