data_OsWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsWSe2
_chemical_formula_sum   'Os1 W1 Se2'
_cell_volume   74.39
_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
  Os  Os0  1  0.54  0.0  0.72  1.0
  W  W3  1  0.0  0.0  0.8  1.0
  Se  Se1  1  0.0  0.0  0.49  1.0
  Se  Se2  1  0.54  0.0  0.98  1.0

data_OsWSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsWSe2
_chemical_formula_sum   'Os1 W1 Se2'
_cell_volume   74.39
_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
  Os  Os0  1  0.54  0.0  0.72  1.0
  W  W1  1  0.0  0.0  0.8  1.0
  Se  Se2  1  0.0  0.0  0.49  1.0
  Se  Se3  1  0.54  0.0  0.98  1.0

Os W Se Se
Os W Se Se 0 1 o o o 0 1 + o o 0 2 + o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 1 3 - o o 2 2 + + o 2 2 o + o 2 2 + o o 3 3 o + o 3 3 + o o 