data_Cd2WSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   131.97
_cell_angle_beta   131.97
_cell_angle_gamma   70.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2WSe
_chemical_formula_sum   'Cd2 W1 Se1'
_cell_volume   77.74
_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  0.28  1.0
  Cd  Cd1  1  0.0  0.13  0.14  1.0
  W  W3  1  0.13  0.0  0.14  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Cd2WSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.24
_cell_angle_alpha   114.01
_cell_angle_beta   114.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2WSe
_chemical_formula_sum   'Cd2 W1 Se1'
_cell_volume   77.74
_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  0.72  0.0  0.72  1.0
  Cd  Cd1  1  0.99  0.13  0.99  1.0
  W  W2  1  0.86  0.0  0.99  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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