data_GeWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.25
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeWSe2
_chemical_formula_sum   'Ge1 W1 Se2'
_cell_volume   79.85
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.98  0.0  0.47  1.0
  Se  Se1  1  0.18  0.12  0.91  1.0
  Se  Se2  1  0.49  0.12  0.04  1.0

data_GeWSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.25
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeWSe2
_chemical_formula_sum   'Ge1 W1 Se2'
_cell_volume   79.85
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.98  0.0  0.47  1.0
  Se  Se2  1  0.18  0.12  0.91  1.0
  Se  Se3  1  0.49  0.12  0.04  1.0

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