data_[Tl2P2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4115]
_cell_length_b [3.1735]
_cell_length_c [6.1593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlPW2]
_chemical_formula_sum '[Tl2 P2 W4]'
_cell_volume [161.9828]
_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
[
  Tl  Tl0  2  0.2634  0.0000  0.7618  1
  P  P1  2  0.4707  0.0000  0.3708  1
  W  W2  2  0.0256  0.0000  0.0781  1
  W  W3  2  0.2402  0.5000  0.2894  1
]