data_TeW2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeW2Cl
_chemical_formula_sum   'Te1 W2 Cl1'
_cell_volume   84.39
_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
  Te  Te1  1  0.68  0.0  0.05  1.0
  W  W2  1  0.0  0.0  0.44  1.0
  W  W3  1  0.68  0.0  0.54  1.0
  Cl  Cl0  1  0.0  0.0  0.52  1.0

data_TeW2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeW2Cl
_chemical_formula_sum   'Te1 W2 Cl1'
_cell_volume   84.39
_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
  Te  Te0  1  0.68  0.0  0.05  1.0
  W  W1  1  0.0  0.0  0.44  1.0
  W  W2  1  0.68  0.0  0.54  1.0
  Cl  Cl3  1  0.0  0.0  0.52  1.0

Te W W Cl
Te W W Cl 0 0 + + o 0 0 o + o 0 0 + o o 1 3 o o o 2 3 + o o 