data_Te2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   123.05
_cell_angle_beta   123.05
_cell_angle_gamma   84.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2WCl
_chemical_formula_sum   'Te2 W1 Cl1'
_cell_volume   85.16
_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  0.4  0.0  0.86  1.0
  Te  Te2  1  0.0  0.0  0.71  1.0
  W  W3  1  0.0  0.4  0.86  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Te2WCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.02
_cell_angle_alpha   118.47
_cell_angle_beta   118.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2WCl
_chemical_formula_sum   'Te2 W1 Cl1'
_cell_volume   85.16
_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  0.14  0.0  0.54  1.0
  Te  Te1  1  0.29  0.0  0.29  1.0
  W  W2  1  0.54  0.4  0.54  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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