data_[Tl2Te3W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2553]
_cell_length_b [8.4694]
_cell_length_c [19.5641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tl2Te3W]
_chemical_formula_sum '[Tl2 Te3 W1]'
_cell_volume [705.0886]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.5931  1
  Tl  Tl1  1  0.0000  0.5000  0.5857  1
  Te  Te2  2  0.5000  0.2552  0.5117  1
  Te  Te3  1  0.0000  0.0000  0.3598  1
  W  W4  1  0.5000  0.0000  0.4379  1
]