data_Mo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   16.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Os
_chemical_formula_sum   'Mo16 Os8'
_cell_volume   376.95
_cell_formula_units_Z   8
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
  Mo  Mo0  1  0.56  0.48  0.08  1.0
  Mo  Mo1  1  0.0  0.96  0.5  1.0
  Mo  Mo2  1  0.0  0.96  0.36  1.0
  Mo  Mo3  1  0.56  0.48  0.21  1.0
  Mo  Mo4  1  0.72  0.22  0.0  1.0
  Mo  Mo5  1  0.28  0.22  0.0  1.0
  Mo  Mo6  1  0.56  0.0  0.0  1.0
  Mo  Mo7  1  0.72  0.22  0.29  1.0
  Mo  Mo8  1  0.28  0.22  0.29  1.0
  Mo  Mo9  1  0.56  0.0  0.29  1.0
  Mo  Mo10  1  0.25  0.72  0.14  1.0
  Mo  Mo11  1  0.88  0.72  0.14  1.0
  Mo  Mo12  1  0.56  1.0  0.14  1.0
  Mo  Mo13  1  0.32  0.72  0.43  1.0
  Mo  Mo14  1  0.68  0.72  0.43  1.0
  Mo  Mo15  1  0.0  0.44  0.43  1.0
  Os  Os16  1  0.0  0.0  0.55  1.0
  Os  Os17  1  0.0  0.0  0.02  1.0
  Os  Os18  1  0.0  0.0  0.84  1.0
  Os  Os19  1  0.0  0.0  0.74  1.0
  Os  Os20  1  0.56  0.48  0.98  1.0
  Os  Os21  1  0.0  0.96  0.59  1.0
  Os  Os22  1  0.0  0.96  0.69  1.0
  Os  Os23  1  0.56  0.48  0.88  1.0

data_Mo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   16.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Os
_chemical_formula_sum   'Mo16 Os8'
_cell_volume   376.95
_cell_formula_units_Z   8
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
  Mo  Mo0  1  0.0  0.44  0.43  1.0
  Mo  Mo1  1  0.0  0.96  0.36  1.0
  Mo  Mo2  1  0.0  0.96  0.5  1.0
  Mo  Mo3  1  0.25  0.72  0.14  1.0
  Mo  Mo4  1  0.28  0.22  0.0  1.0
  Mo  Mo5  1  0.28  0.22  0.29  1.0
  Mo  Mo6  1  0.32  0.72  0.43  1.0
  Mo  Mo7  1  0.56  0.0  0.0  1.0
  Mo  Mo8  1  0.56  0.0  0.29  1.0
  Mo  Mo9  1  0.56  0.48  0.08  1.0
  Mo  Mo10  1  0.56  0.48  0.21  1.0
  Mo  Mo11  1  0.56  1.0  0.14  1.0
  Mo  Mo12  1  0.68  0.72  0.43  1.0
  Mo  Mo13  1  0.72  0.22  0.0  1.0
  Mo  Mo14  1  0.72  0.22  0.29  1.0
  Mo  Mo15  1  0.88  0.72  0.14  1.0
  Os  Os16  1  0.0  0.0  0.02  1.0
  Os  Os17  1  0.0  0.0  0.55  1.0
  Os  Os18  1  0.0  0.0  0.74  1.0
  Os  Os19  1  0.0  0.0  0.84  1.0
  Os  Os20  1  0.0  0.96  0.59  1.0
  Os  Os21  1  0.0  0.96  0.69  1.0
  Os  Os22  1  0.56  0.48  0.88  1.0
  Os  Os23  1  0.56  0.48  0.98  1.0

Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Os Os Os Os Os Os Os Os