data_[Cs6W4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3213]
_cell_length_b [7.4881]
_cell_length_c [11.1991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3(WSe4)2]
_chemical_formula_sum '[Cs6 W4 Se16]'
_cell_volume [1039.6774]
_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
[
  Cs  Cs0  4  0.2001  0.0000  0.6410  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  W  W2  4  0.0634  0.5000  0.7656  1
  Se  Se3  8  0.0368  0.2435  0.3218  1
  Se  Se4  4  0.1050  0.5000  0.9909  1
  Se  Se5  4  0.2235  0.5000  0.7268  1
]