data_ZnWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   4.03
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   95.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnWSe2
_chemical_formula_sum   'Zn1 W1 Se2'
_cell_volume   79.24
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  W  W2  1  0.94  0.0  0.71  1.0
  Se  Se0  1  0.75  0.02  0.05  1.0
  Se  Se1  1  0.13  0.02  0.38  1.0

data_ZnWSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.03
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   95.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnWSe2
_chemical_formula_sum   'Zn1 W1 Se2'
_cell_volume   79.24
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.94  0.0  0.71  1.0
  Se  Se2  1  0.13  0.02  0.38  1.0
  Se  Se3  1  0.75  0.02  0.05  1.0

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