data_[Tl1Fe1Te1W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0379]
_cell_length_b [3.1127]
_cell_length_c [9.4142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlFeTeW]
_chemical_formula_sum '[Tl1 Fe1 Te1 W1]'
_cell_volume [88.1722]
_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  0.0793  0.5000  0.7128  1
  Fe  Fe1  1  0.4798  0.0000  0.4825  1
  Te  Te2  1  0.8096  0.0000  0.0985  1
  W  W3  1  0.9221  0.5000  0.3489  1
]