data_CdWSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14
_cell_length_b   10.14
_cell_length_c   10.14
_cell_angle_alpha   18.49
_cell_angle_beta   18.49
_cell_angle_gamma   18.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdWSe2
_chemical_formula_sum   'Cd1 W1 Se2'
_cell_volume   91.56
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.94  1.0
  Se  Se1  1  0.0  0.0  0.16  1.0
  Se  Se2  1  0.0  0.0  0.73  1.0

data_CdWSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   3.26
_cell_length_c   10.14
_cell_angle_alpha   90.0
_cell_angle_beta   100.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdWSe2
_chemical_formula_sum   'Cd2 W2 Se4'
_cell_volume   183.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cd  Cd0  2  0.0  0.0  0.0  1.0
  W  W1  2  0.0  0.0  0.06  1.0
  Se  Se2  2  0.0  0.0  0.27  1.0
  Se  Se3  2  0.0  0.0  0.84  1.0

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