data_MoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   132.48
_cell_angle_beta   132.48
_cell_angle_gamma   69.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoOs
_chemical_formula_sum   'Mo2 Os2'
_cell_volume   60.46
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.95  0.99  1.0
  Os  Os2  1  0.95  0.0  0.99  1.0
  Os  Os3  1  0.0  0.0  0.98  1.0

data_MoOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   4.84
_cell_angle_alpha   113.76
_cell_angle_beta   113.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoOs
_chemical_formula_sum   'Mo2 Os2'
_cell_volume   60.46
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  Mo  Mo1  1  0.04  0.99  0.04  1.0
  Os  Os2  1  0.98  0.98  0.98  1.0
  Os  Os3  1  0.99  0.04  0.04  1.0

Mo Mo Os Os
Mo Mo Os Os 0 3 o o - 0 1 o - - 0 2 - o - 