data_[Te2W2Cl6]
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 [Amm2]
_cell_length_a [19.5287]
_cell_length_b [6.6370]
_cell_length_c [8.4546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TeWCl3]
_chemical_formula_sum '[Te2 W2 Cl6]'
_cell_volume [1095.8189]
_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  0.5000  0.0000  0.9213  1
  W  W1  2  0.5000  0.0000  0.2198  1
  Cl  Cl2  4  0.3840  0.0000  0.2492  1
  Cl  Cl3  2  0.5000  0.0000  0.5070  1
]