data_AgWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   8.35
_cell_angle_alpha   95.23
_cell_angle_beta   95.23
_cell_angle_gamma   59.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgWSe2
_chemical_formula_sum   'Ag1 W1 Se2'
_cell_volume   78.29
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.43  0.0  0.15  1.0
  Se  Se1  1  0.51  0.0  0.88  1.0
  Se  Se2  1  0.34  0.0  0.43  1.0

data_AgWSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.3
_cell_length_c   8.35
_cell_angle_alpha   95.23
_cell_angle_beta   90.0
_cell_angle_gamma   119.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgWSe2
_chemical_formula_sum   'Ag1 W1 Se2'
_cell_volume   78.29
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.57  0.85  1.0
  Se  Se2  1  0.0  0.49  0.12  1.0
  Se  Se3  1  0.0  0.66  0.57  1.0

Ag W Se Se
Ag W Se Se 0 2 - o - 0 2 o o - 0 1 o o o 1 3 o o o 