data_[Ta2W1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3572]
_cell_length_b [6.6462]
_cell_length_c [19.6964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [101.3793]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta2WSe4]
_chemical_formula_sum '[Ta2 W1 Se4]'
_cell_volume [430.8350]
_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
[
  Ta  Ta0  1  0.3906  0.1996  0.5425  1
  Ta  Ta1  1  0.8750  0.3925  0.4252  1
  W  W2  1  0.2524  0.5762  0.5265  1
  Se  Se3  1  0.2415  0.0936  0.4130  1
  Se  Se4  1  0.4581  0.6684  0.3909  1
  Se  Se5  1  0.8374  0.8635  0.5726  1
  Se  Se6  1  0.9682  0.3606  0.6293  1
]