data_Os2RuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2RuSe
_chemical_formula_sum   'Os2 Ru1 Se1'
_cell_volume   61.95
_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  0.38  0.0  0.49  1.0
  Os  Os1  1  0.38  0.0  0.96  1.0
  Ru  Ru2  1  0.0  0.0  0.72  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Os2RuSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.75
_cell_length_b   4.78
_cell_length_c   9.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Os2RuSe
_chemical_formula_sum   'Os4 Ru2 Se2'
_cell_volume   123.9
_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
  Ru  Ru0  2  0.0  0.0  0.72  1.0
  Os  Os1  2  0.38  0.0  0.49  1.0
  Os  Os2  2  0.38  0.0  0.96  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

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