data_[As6W6Se4]
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 [Cm]
_cell_length_a [13.3494]
_cell_length_b [5.6538]
_cell_length_c [18.9057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [As3W3Se2]
_chemical_formula_sum '[As6 W6 Se4]'
_cell_volume [1426.8964]
_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
[
  As  As0  4  0.1399  0.2744  0.5993  1
  As  As1  2  0.3719  0.0000  0.5209  1
  W  W2  4  0.0194  0.2243  0.5024  1
  W  W3  2  0.1891  0.0000  0.4902  1
  Se  Se4  4  0.1236  0.2724  0.3927  1
]