data_OsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41
_cell_length_b   9.41
_cell_length_c   9.41
_cell_angle_alpha   159.59
_cell_angle_beta   159.59
_cell_angle_gamma   29.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsW2
_chemical_formula_sum   'Os2 W4'
_cell_volume   101.34
_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
  Os  Os0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.67  0.56  1.0
  W  W2  1  0.67  0.0  0.26  1.0
  W  W3  1  0.67  0.0  0.85  1.0
  W  W4  1  0.0  0.0  0.82  1.0
  W  W5  1  0.0  0.0  0.41  1.0

data_OsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   9.41
_cell_angle_alpha   100.21
_cell_angle_beta   100.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsW2
_chemical_formula_sum   'Os2 W4'
_cell_volume   101.34
_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
  Os  Os0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.89  0.56  0.89  1.0
  W  W2  1  0.26  0.59  0.59  1.0
  W  W3  1  0.41  0.41  0.41  1.0
  W  W4  1  0.82  0.82  0.82  1.0
  W  W5  1  0.85  0.18  0.18  1.0

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