data_Mo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   4.06
_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   'Mo6 Os3'
_cell_volume   148.45
_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
  Mo  Mo0  1  0.17  0.43  0.03  1.0
  Mo  Mo1  1  0.09  0.3  0.0  1.0
  Mo  Mo2  1  0.65  0.0  0.03  1.0
  Mo  Mo3  1  0.42  0.2  0.03  1.0
  Mo  Mo4  1  0.81  0.0  0.0  1.0
  Mo  Mo5  1  0.34  0.32  0.0  1.0
  Os  Os6  1  0.0  0.0  0.0  1.0
  Os  Os7  1  0.0  0.75  0.03  1.0
  Os  Os8  1  0.25  0.88  0.03  1.0

data_Mo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   6.5
_cell_length_c   6.5
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Os
_chemical_formula_sum   'Mo6 Os3'
_cell_volume   148.45
_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
  Mo  Mo0  1  0.0  0.09  0.3  1.0
  Mo  Mo1  1  0.0  0.81  0.0  1.0
  Mo  Mo2  1  0.0  0.34  0.32  1.0
  Mo  Mo3  1  0.03  0.17  0.43  1.0
  Mo  Mo4  1  0.03  0.42  0.2  1.0
  Mo  Mo5  1  0.03  0.65  0.0  1.0
  Os  Os6  1  0.0  0.0  0.0  1.0
  Os  Os7  1  0.03  0.0  0.75  1.0
  Os  Os8  1  0.03  0.25  0.88  1.0

Mo Mo Mo Mo Mo Mo Os Os Os