data_As3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As3Os
_chemical_formula_sum   'As12 Os4'
_cell_volume   276.75
_cell_formula_units_Z   4
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  0.53  0.55  0.62  1.0
  As  As1  1  0.53  0.55  0.0  1.0
  As  As2  1  0.47  0.55  0.62  1.0
  As  As3  1  0.94  0.0  0.62  1.0
  As  As4  1  0.94  0.0  0.0  1.0
  As  As5  1  0.47  0.55  0.0  1.0
  As  As6  1  0.6  0.32  0.92  1.0
  As  As7  1  0.34  0.77  0.31  1.0
  As  As8  1  0.4  0.32  0.92  1.0
  As  As9  1  0.0  0.54  0.92  1.0
  As  As10  1  0.94  0.55  0.31  1.0
  As  As11  1  0.55  0.77  0.31  1.0
  Os  Os12  1  0.0  0.0  0.62  1.0
  Os  Os13  1  0.0  0.0  0.0  1.0
  Os  Os14  1  0.94  0.7  0.92  1.0
  Os  Os15  1  0.0  0.4  0.31  1.0

data_As3Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As3Os
_chemical_formula_sum   'As12 Os4'
_cell_volume   276.75
_cell_formula_units_Z   4
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  0.54  0.92  1.0
  As  As1  1  0.34  0.77  0.31  1.0
  As  As2  1  0.4  0.32  0.92  1.0
  As  As3  1  0.47  0.55  0.0  1.0
  As  As4  1  0.47  0.55  0.62  1.0
  As  As5  1  0.53  0.55  0.0  1.0
  As  As6  1  0.53  0.55  0.62  1.0
  As  As7  1  0.55  0.77  0.31  1.0
  As  As8  1  0.6  0.32  0.92  1.0
  As  As9  1  0.94  0.0  0.0  1.0
  As  As10  1  0.94  0.0  0.62  1.0
  As  As11  1  0.94  0.55  0.31  1.0
  Os  Os12  1  0.0  0.0  0.0  1.0
  Os  Os13  1  0.0  0.0  0.62  1.0
  Os  Os14  1  0.0  0.4  0.31  1.0
  Os  Os15  1  0.94  0.7  0.92  1.0

As As As As As As As As As As As As Os Os Os Os