data_[Te6W4Cl4]
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 [Pmc2_1]
_cell_length_a [20.4925]
_cell_length_b [12.8222]
_cell_length_c [4.5499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Te3(WCl)2]
_chemical_formula_sum '[Te6 W4 Cl4]'
_cell_volume [1195.5228]
_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  4  0.0836  0.4377  0.3189  1
  Te  Te1  2  0.0000  0.2363  0.8283  1
  W  W2  4  0.0603  0.0509  0.8471  1
  Cl  Cl3  4  0.1340  0.1044  0.2789  1
]