data_[Te2W2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6125]
_cell_length_b [7.6440]
_cell_length_c [7.8301]
_cell_angle_alpha [81.6244]
_cell_angle_beta [77.1359]
_cell_angle_gamma [79.3156]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TeWCl]
_chemical_formula_sum '[Te2 W2 Cl2]'
_cell_volume [205.9057]
_cell_formula_units_Z [2]
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  2  0.0838  0.2275  0.6595  1
  W  W1  2  0.2953  0.0369  0.3759  1
  Cl  Cl2  2  0.3065  0.2726  0.1581  1
]