data_Cd2TeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   131.56
_cell_angle_beta   131.56
_cell_angle_gamma   70.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TeW
_chemical_formula_sum   'Cd2 Te1 W1'
_cell_volume   83.8
_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
  Cd  Cd1  1  0.19  0.0  0.18  1.0
  Te  Te2  1  0.0  0.0  0.35  1.0
  W  W3  1  0.0  0.19  0.18  1.0

data_Cd2TeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.35
_cell_angle_alpha   114.22
_cell_angle_beta   114.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2TeW
_chemical_formula_sum   'Cd2 Te1 W1'
_cell_volume   83.8
_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
  Cd  Cd1  1  0.18  0.98  0.98  1.0
  Te  Te2  1  0.35  0.35  0.35  1.0
  W  W3  1  0.98  0.18  0.98  1.0

Cd Cd Te W