data_As2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56
_cell_length_b   8.56
_cell_length_c   8.56
_cell_angle_alpha   21.52
_cell_angle_beta   21.52
_cell_angle_gamma   21.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2OsSe
_chemical_formula_sum   'As2 Os1 Se1'
_cell_volume   73.85
_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
  As  As0  1  0.0  0.0  0.11  1.0
  As  As1  1  0.0  0.0  0.96  1.0
  Os  Os2  1  0.0  0.0  0.53  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_As2OsSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.19
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   102.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   As2OsSe
_chemical_formula_sum   'As4 Os2 Se2'
_cell_volume   147.7
_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
  As  As0  2  0.0  0.0  0.04  1.0
  As  As1  2  0.0  0.0  0.89  1.0
  Os  Os2  2  0.0  0.0  0.47  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

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