data_AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   5.71
_cell_angle_alpha   109.17
_cell_angle_beta   109.17
_cell_angle_gamma   25.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsOs
_chemical_formula_sum   'As3 Os3'
_cell_volume   100.69
_cell_formula_units_Z   3
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  0.69  0.0  0.19  1.0
  As  As1  1  0.91  0.0  0.48  1.0
  As  As2  1  0.28  0.0  0.73  1.0
  Os  Os3  1  0.95  0.0  0.19  1.0
  Os  Os4  1  0.65  0.0  0.27  1.0
  Os  Os5  1  0.8  0.0  0.35  1.0

data_AsOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.71
_cell_length_c   6.56
_cell_angle_alpha   109.17
_cell_angle_beta   102.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsOs
_chemical_formula_sum   'As3 Os3'
_cell_volume   100.69
_cell_formula_units_Z   3
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  0.19  0.69  1.0
  As  As1  1  0.0  0.48  0.91  1.0
  As  As2  1  0.0  0.73  0.28  1.0
  Os  Os3  1  0.0  0.19  0.95  1.0
  Os  Os4  1  0.0  0.27  0.65  1.0
  Os  Os5  1  0.0  0.35  0.8  1.0

As As As Os Os Os
As As As Os Os Os 0 4 o o o 0 2 o o - 0 3 o o o 0 5 o o o 1 5 o o o 1 2 + o o 1 3 o o o 2 5 - o o 2 3 - o o 2 2 + - o 2 4 o o + 3 5 o o o 4 5 o o o 