data_Os2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2WSe
_chemical_formula_sum   'Os2 W1 Se1'
_cell_volume   64.32
_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  0.47  0.0  0.86  1.0
  Os  Os1  1  0.47  0.0  0.46  1.0
  W  W3  1  0.0  0.0  0.66  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Os2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Os2WSe
_chemical_formula_sum   'Os2 W1 Se1'
_cell_volume   64.32
_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  0.47  0.0  0.46  1.0
  Os  Os1  1  0.47  0.0  0.86  1.0
  W  W2  1  0.0  0.0  0.66  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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