data_[As2W3Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2003]
_cell_length_b [9.1055]
_cell_length_c [18.7527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [As2W3Se4]
_chemical_formula_sum '[As2 W3 Se4]'
_cell_volume [546.4638]
_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
[
  As  As0  2  0.5000  0.1369  0.5970  1
  W  W1  2  0.0000  0.2537  0.4997  1
  W  W2  1  0.5000  0.5000  0.4898  1
  Se  Se3  2  0.5000  0.2997  0.3969  1
  Se  Se4  1  0.0000  0.0000  0.4317  1
  Se  Se5  1  0.0000  0.5000  0.5913  1
]