data_MoOs5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoOs5
_chemical_formula_sum   'Mo1 Os5'
_cell_volume   87.2
_cell_formula_units_Z   1
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
  Os  Os1  1  0.18  0.0  0.18  1.0
  Os  Os2  1  0.81  0.41  0.18  1.0
  Os  Os3  1  0.41  0.75  0.18  1.0
  Os  Os4  1  0.4  0.39  0.0  1.0
  Os  Os5  1  0.0  0.77  0.0  1.0

data_MoOs5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoOs5
_chemical_formula_sum   'Mo1 Os5'
_cell_volume   87.2
_cell_formula_units_Z   1
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
  Os  Os1  1  -0.0  0.4  0.39  1.0
  Os  Os2  1  0.0  0.0  0.77  1.0
  Os  Os3  1  0.18  0.18  0.0  1.0
  Os  Os4  1  0.18  0.41  0.75  1.0
  Os  Os5  1  0.18  0.81  0.41  1.0

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